[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(benzhydrylamino)-2-oxo-ethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(benzhydrylamino)-2-keto-ethyl] ester Formula: C31H27ClN2O5S MolecularWeight: 575.07448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C31H27ClN2O5S/c32-27-16-15-25(19-28(27)40(37,38)34-18-17-22-9-7-8-14-26(22)20-34)31(36)39-21-29(35)33-30(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-16,19,30H,17-18,20-21H2,(H,33,35)