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Benzenesulfonamide, N-(2-cyanoethyl)-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]-
SpectraBase Compound ID 56vxXAT5bnE
InChI InChI=1S/C35H52N4O5S2/c1-31-16-20-33(21-17-31)45(41,42)38(27-12-24-36)29-14-30-39(46(43,44)34-22-18-32(2)19-23-34)28-13-26-37-25-11-9-7-5-3-4-6-8-10-15-35(37)40/h16-23H,3-15,25-30H2,1-2H3
InChIKey SDNPNMIWAGJVDJ-UHFFFAOYSA-N
Mol Weight 672.9 g/mol
Molecular Formula C35H52N4O5S2
Exact Mass 672.337913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13vROTFC4d
Name Benzenesulfonamide, N-(2-cyanoethyl)-4-methyl-N-[3-[[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridec-1-yl)propyl]amino]propyl]-
Alternate Name(s) 13-(10-Cyano-4,8-distosyl-4,8-diazadecyl)-12-dodecanlactam 13-(10-Cyano-4,8-ditosyl-4,8-diazadecyl)-12-dodecanolactam Azacyclotridecane, benzenesulfonamide deriv. N-(2-cyanoethyl)-4-methyl-N-(3-{[(4-methylphenyl)sulfonyl][3-(2-oxoazacyclotridecan-1-yl)propyl]amino}propyl)benzenesulfonamide N-[3-[2-cyanoethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methyl-N-[3-(2-oxo-azacyclotridec-1-yl)propyl]benzenesulfonamide N-[3-[2-cyanoethyl(p-tolylsulfonyl)amino]propyl]-4-methyl-N-[3-(2-oxo-azacyclotridec-1-yl)propyl]benzenesulfonamide N-[3-[2-cyanoethyl-(4-methylphenyl)sulfonyl-amino]propyl]-4-methyl-N-[3-(2-oxidanylidene-1-azacyclotridec-1-yl)propyl]benzenesulfonamide
CAS Registry Number 67171-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H52N4O5S2
InChI InChI=1S/C35H52N4O5S2/c1-31-16-20-33(21-17-31)45(41,42)38(27-12-24-36)29-14-30-39(46(43,44)34-22-18-32(2)19-23-34)28-13-26-37-25-11-9-7-5-3-4-6-8-10-15-35(37)40/h16-23H,3-15,25-30H2,1-2H3
InChIKey SDNPNMIWAGJVDJ-UHFFFAOYSA-N
Molecular Weight 672.944 g/mol
SMILES c1(S(N(CCCN(S(c2ccc(cc2)C)(=O)=O)CCCN2C(=O)CCCCCCCCCCC2)CCC#N)(=O)=O)ccc(cc1)C
SPLASH splash10-0007-9872000000-16493a7265bea233c5d6
Source of Spectrum H-61-1351-0
Wiley ID 1413993