3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-methyl-5-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)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

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