2-[2-methyl-4-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-propyl-sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[2-methyl-4-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-propyl-sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-propyl-sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[(1-hydroxy-2-methyl-1-oxopropan-2-yl)-propylsulfamoyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[(1-hydroxy-2-methyl-1-oxopropan-2-yl)-propylsulfamoyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-propyl-sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C28H38N2O6S MolecularWeight: 530.67612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)(C)C(=O)O)S(=O)(=O)C1=CC(=C(C=C1)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O)C

Isomeric SMILES

CCCN(C(C)(C)C(=O)O)S(=O)(=O)C1=CC(=C(C=C1)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O)C

InChI

InChI=1S/C28H38N2O6S/c1-5-16-30(28(3,4)27(33)34)37(35,36)23-13-15-24(20(2)19-23)25(26(31)32)14-10-21-8-11-22(12-9-21)29-17-6-7-18-29/h8-9,11-13,15,19,25H,5-7,10,14,16-18H2,1-4H3,(H,31,32)(H,33,34)