3,4-dimethyl-5-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-methyl-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(4-methyl-3-piperidinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O6S2/c1-14-7-8-18(13-19(14)31(28,29)23-9-5-4-6-10-23)22-30(26,27)20-12-17(21(24)25)11-15(2)16(20)3/h7-8,11-13,22H,4-6,9-10H2,1-3H3,(H,24,25)