3-[4-(2-methoxyphenyl)-3-(phenylsulfonylamino)-2-pyrrolidin-2-ylcarbonyl-phenyl]propanoic acid

Systemtic Name: 3-[4-(2-methoxyphenyl)-3-(phenylsulfonylamino)-2-pyrrolidin-2-ylcarbonyl-phenyl]propanoic acid Openeye Name: 3-[3-(benzenesulfonamido)-4-(2-methoxyphenyl)-2-(pyrrolidine-2-carbonyl)phenyl]propanoic acid CAS Name: 3-[3-(benzenesulfonamido)-4-(2-methoxyphenyl)-2-[oxo(2-pyrrolidinyl)methyl]phenyl]propanoic acid IUPAC Name: 3-[3-(benzenesulfonamido)-4-(2-methoxyphenyl)-2-(pyrrolidine-2-carbonyl)phenyl]propanoic acid Traditional Name: 3-[3-(benzenesulfonamido)-4-(2-methoxyphenyl)-2-prolyl-phenyl]propionic acid Formula: C27H28N2O6S MolecularWeight: 508.58602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C(=C(C=C2)CCC(=O)O)C(=O)C3CCCN3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=C(C(=C(C=C2)CCC(=O)O)C(=O)C3CCCN3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6S/c1-35-23-12-6-5-10-20(23)21-15-13-18(14-16-24(30)31)25(27(32)22-11-7-17-28-22)26(21)29-36(33,34)19-8-3-2-4-9-19/h2-6,8-10,12-13,15,22,28-29H,7,11,14,16-17H2,1H3,(H,30,31)