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

Systemtic Name: 4-methyl-3-[(2-methyl-6-pyrrolidin-1-ylcarbonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[[2-methyl-6-[oxo(1-pyrrolidinyl)methyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[[2-methyl-6-(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=C(C=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC=C2C)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC=C2C)C(=O)N3CCCC3

InChI

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