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

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-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-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 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-ethyl] ester Formula: C26H22N2O5S MolecularWeight: 474.52828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H22N2O5S/c29-25(23-15-27-24-11-4-3-10-22(23)24)17-33-26(30)19-8-5-9-21(14-19)34(31,32)28-13-12-18-6-1-2-7-20(18)16-28/h1-11,14-15,27H,12-13,16-17H2