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Carbamic acid, N-(3,4-dihydro-2-oxo-2H-1-benzopyran-8-yl)-N-methyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethylphenyl ester
SpectraBase Compound ID 9kW5We7A4dD
InChI InChI=1S/C33H33N3O6S/c1-21-19-29(41-33(38)36(5)28-13-9-10-23-14-17-31(37)42-32(23)28)22(2)18-27(21)34-26-16-15-24(35(3)4)20-30(26)43(39,40)25-11-7-6-8-12-25/h6-13,15-16,18-20,34H,14,17H2,1-5H3
InChIKey MRQSSLZCJHKNPM-UHFFFAOYSA-N
Mol Weight 599.7 g/mol
Molecular Formula C33H33N3O6S
Exact Mass 599.209007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Df4VR2qYuF8
Name Carbamic acid, N-(3,4-dihydro-2-oxo-2H-1-benzopyran-8-yl)-N-methyl-, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethylphenyl ester
Alternate Name(s) 4-((4-(dimethylamino)-2-(phenylsulfonyl)phenyl)amino)-2,5-dimethylphenyl methyl(2-oxochroman-8-yl)carbamate 4-{[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino}-2,5-dimethylphenyl methyl(2-oxo-3,4-dihydro-2H-chromen-8-yl)carbamate N-methyl-N-(2-oxo-3,4-dihydro-2H-1-benzopyran-8-yl)carbamic acid [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethylphenyl] ester [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethylphenyl] N-methyl-N-(2-oxo-3,4-dihydrochromen-8-yl)carbamate [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethyl-phenyl] N-methyl-N-(2-oxochroman-8-yl)carbamate [4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethyl-phenyl] N-methyl-N-(2-oxidanylidene-3,4-dihydrochromen-8-yl)carbamate
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Formula C33H33N3O6S
InChI InChI=1S/C33H33N3O6S/c1-21-19-29(41-33(38)36(5)28-13-9-10-23-14-17-31(37)42-32(23)28)22(2)18-27(21)34-26-16-15-24(35(3)4)20-30(26)43(39,40)25-11-7-6-8-12-25/h6-13,15-16,18-20,34H,14,17H2,1-5H3
InChIKey MRQSSLZCJHKNPM-UHFFFAOYSA-N
Molecular Weight 599.702 g/mol
SMILES N(c1ccc(N(C)C)cc1S(=O)(=O)c1ccccc1)c1cc(C)c(OC(=O)N(C)c2cccc3CCC(=O)Oc23)cc1C
SPLASH splash10-0002-3449042000-e7242762b25aa3d6668c
Source of Spectrum JX-2015-4-1301
Wiley ID 1726690