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

Systemtic Name: 2-[2-methyl-4-[(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[(1-hydroxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[(1-hydroxy-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[(2-hydroxy-2-keto-1,1-dimethyl-ethyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H32N2O6S MolecularWeight: 488.59638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC(C)(C)C(=O)O)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC(C)(C)C(=O)O)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C25H32N2O6S/c1-17-16-20(34(32,33)26-25(2,3)24(30)31)11-13-21(17)22(23(28)29)12-8-18-6-9-19(10-7-18)27-14-4-5-15-27/h6-7,9-11,13,16,22,26H,4-5,8,12,14-15H2,1-3H3,(H,28,29)(H,30,31)