3,4-dimethyl-5-[(4-pyrrolidin-1-ylcarbonylphenyl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(4-pyrrolidin-1-ylcarbonylphenyl)sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[[4-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCCC3)C

InChI

InChI=1S/C20H22N2O5S/c1-13-11-16(20(24)25)12-18(14(13)2)28(26,27)21-17-7-5-15(6-8-17)19(23)22-9-3-4-10-22/h5-8,11-12,21H,3-4,9-10H2,1-2H3,(H,24,25)