3,4-dimethyl-5-[(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1NS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O)C(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-13-7-6-8-17(20(24)23-9-4-5-10-23)19(13)22-29(27,28)18-12-16(21(25)26)11-14(2)15(18)3/h6-8,11-12,22H,4-5,9-10H2,1-3H3,(H,25,26)