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

Systemtic Name: 2-(2-methyl-4-morpholin-4-ylsulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-(2-methyl-4-morpholinosulfonyl-phenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-(4-morpholinylsulfonyl)phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-(2-methyl-4-morpholinosulfonyl-phenyl)-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C25H32N2O5S/c1-19-18-22(33(30,31)27-14-16-32-17-15-27)9-11-23(19)24(25(28)29)10-6-20-4-7-21(8-5-20)26-12-2-3-13-26/h4-5,7-9,11,18,24H,2-3,6,10,12-17H2,1H3,(H,28,29)