[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C32H26N2O5S MolecularWeight: 550.62424

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C32H26N2O5S/c35-30(28-20-33-29-16-7-6-15-27(28)29)31(23-10-2-1-3-11-23)39-32(36)24-13-8-14-26(19-24)40(37,38)34-18-17-22-9-4-5-12-25(22)21-34/h1-16,19-20,31,33H,17-18,21H2