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Benzoic acid, 3-[[(4-bromophenyl)sulfonyl]amino]-4-(1-piperidinyl)-, methyl ester
SpectraBase Compound ID 5LXCkWFdRxR
InChI InChI=1S/C19H21BrN2O4S/c1-26-19(23)14-5-10-18(22-11-3-2-4-12-22)17(13-14)21-27(24,25)16-8-6-15(20)7-9-16/h5-10,13,21H,2-4,11-12H2,1H3
InChIKey LNRBBTUMZJRWHC-UHFFFAOYSA-N
Mol Weight 453.35 g/mol
Molecular Formula C19H21BrN2O4S
Exact Mass 452.040541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZlCRPp5DFR
Name Benzoic acid, 3-[[(4-bromophenyl)sulfonyl]amino]-4-(1-piperidinyl)-, methyl ester
Alternate Name(s) 3-[(4-bromophenyl)sulfonylamino]-4-(1-piperidinyl)benzoic acid methyl ester Methyl 3-[(4-bromophenyl)sulfonylamino]-4-piperidin-1-ylbenzoate Methyl 3-[(4-bromophenyl)sulfonylamino]-4-(1-piperidyl)benzoate Methyl 3-[(4-bromophenyl)sulfonylamino]-4-piperidin-1-yl-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrN2O4S
InChI InChI=1S/C19H21BrN2O4S/c1-26-19(23)14-5-10-18(22-11-3-2-4-12-22)17(13-14)21-27(24,25)16-8-6-15(20)7-9-16/h5-10,13,21H,2-4,11-12H2,1H3
InChIKey LNRBBTUMZJRWHC-UHFFFAOYSA-N
Molecular Weight 453.351 g/mol
SMILES N(c1c(N2CCCCC2)ccc(C(=O)OC)c1)S(c1ccc(cc1)Br)(=O)=O
SPLASH splash10-001i-9780000000-1b01eb6d62e8e7261f34
Source of Spectrum IY-1-4626-0
Wiley ID 1654243