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

Systemtic Name: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-oxo-2-(4-phenylphenyl)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-(4-phenylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylphenyl)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-(4-phenylphenyl)ethyl] ester Formula: C29H25NO5S2 MolecularWeight: 531.6425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C29H25NO5S2/c31-27(24-14-12-22(13-15-24)21-7-2-1-3-8-21)20-35-28(32)19-26-25-10-5-4-9-23(25)16-17-30(26)37(33,34)29-11-6-18-36-29/h1-15,18,26H,16-17,19-20H2