3,4-dimethyl-5-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[4-(3-methylpiperidino)sulfonylphenyl]sulfamoyl]benzoic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)O

InChI

InChI=1S/C21H26N2O6S2/c1-14-5-4-10-23(13-14)31(28,29)19-8-6-18(7-9-19)22-30(26,27)20-12-17(21(24)25)11-15(2)16(20)3/h6-9,11-12,14,22H,4-5,10,13H2,1-3H3,(H,24,25)