3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethylsulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethylsulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethylsulfamoyl]-4-methyl-benzoic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCC2=C(N(C(=C2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NCCC2=C(N(C(=C2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O4S/c1-15-9-10-19(22(25)26)14-21(15)29(27,28)23-12-11-18-13-16(2)24(17(18)3)20-7-5-4-6-8-20/h4-10,13-14,23H,11-12H2,1-3H3,(H,25,26)