methyl 3-(3-cyanophenyl)-5-[4-(phenylsulfonylamino)phenyl]pentanoate

Systemtic Name: methyl 3-(3-cyanophenyl)-5-[4-(phenylsulfonylamino)phenyl]pentanoate Openeye Name: methyl 5-[4-(benzenesulfonamido)phenyl]-3-(3-cyanophenyl)pentanoate CAS Name: 5-[4-(benzenesulfonamido)phenyl]-3-(3-cyanophenyl)pentanoic acid methyl ester IUPAC Name: methyl 5-[4-(benzenesulfonamido)phenyl]-3-(3-cyanophenyl)pentanoate Traditional Name: 5-[4-(benzenesulfonamido)phenyl]-3-(3-cyanophenyl)valeric acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC(=O)CC(CCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H24N2O4S/c1-31-25(28)17-22(21-7-5-6-20(16-21)18-26)13-10-19-11-14-23(15-12-19)27-32(29,30)24-8-3-2-4-9-24/h2-9,11-12,14-16,22,27H,10,13,17H2,1H3