3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(4-methyl-3-piperidinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O6S2/c1-14-8-9-16(13-18(14)29(26,27)21-10-3-2-4-11-21)20-28(24,25)17-7-5-6-15(12-17)19(22)23/h5-9,12-13,20H,2-4,10-11H2,1H3,(H,22,23)