2-[2-methyl-4-[(phenylmethyl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[2-methyl-4-[(phenylmethyl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(benzylsulfamoyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[(phenylmethyl)sulfamoyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(benzylsulfamoyl)-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(benzylsulfamoyl)-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C28H32N2O4S MolecularWeight: 492.62968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC=CC=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C28H32N2O4S/c1-21-19-25(35(33,34)29-20-23-7-3-2-4-8-23)14-16-26(21)27(28(31)32)15-11-22-9-12-24(13-10-22)30-17-5-6-18-30/h2-4,7-10,12-14,16,19,27,29H,5-6,11,15,17-18,20H2,1H3,(H,31,32)