3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]benzoic acid

Systemtic Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]benzoic acid Openeye Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]benzoic acid CAS Name: 3-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethylsulfamoyl]benzoic acid IUPAC Name: 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethylsulfamoyl]benzoic acid Traditional Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)CCNS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-15-13-17(16(2)23(15)19-8-4-3-5-9-19)11-12-22-28(26,27)20-10-6-7-18(14-20)21(24)25/h3-10,13-14,22H,11-12H2,1-2H3,(H,24,25)