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

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(benzhydrylamino)-2-oxo-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-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 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-(benzhydrylamino)-2-keto-ethyl] ester Formula: C30H28N2O5S2 MolecularWeight: 560.68372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N2O5S2/c33-27(31-30(23-11-3-1-4-12-23)24-13-5-2-6-14-24)21-37-28(34)20-26-25-15-8-7-10-22(25)17-18-32(26)39(35,36)29-16-9-19-38-29/h1-16,19,26,30H,17-18,20-21H2,(H,31,33)