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

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C26H24N2O6S MolecularWeight: 492.54356

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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)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O6S/c29-24(15-19-7-2-1-3-8-19)27-25(30)18-34-26(31)21-11-6-12-23(16-21)35(32,33)28-14-13-20-9-4-5-10-22(20)17-28/h1-12,16H,13-15,17-18H2,(H,27,29,30)