2-(4-imidazol-1-ylsulfonyl-2-methyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-(4-imidazol-1-ylsulfonyl-2-methyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-(4-imidazol-1-ylsulfonyl-2-methyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-(1-imidazolylsulfonyl)-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-(4-imidazol-1-ylsulfonyl-2-methylphenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-(4-imidazol-1-ylsulfonyl-2-methyl-phenyl)-4-(4-pyrrolidinophenyl)butyric acid Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C=CN=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C=CN=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C24H27N3O4S/c1-18-16-21(32(30,31)27-15-12-25-17-27)9-11-22(18)23(24(28)29)10-6-19-4-7-20(8-5-19)26-13-2-3-14-26/h4-5,7-9,11-12,15-17,23H,2-3,6,10,13-14H2,1H3,(H,28,29)