[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C29H26N2O5S2 MolecularWeight: 546.65714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)NC3=CC=CC=C3C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H26N2O5S2/c32-27(30-25-14-7-6-12-23(25)21-9-2-1-3-10-21)20-36-28(33)19-26-24-13-5-4-11-22(24)16-17-31(26)38(34,35)29-15-8-18-37-29/h1-15,18,26H,16-17,19-20H2,(H,30,32)