[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylanilino)ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-oxo-2-(4-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylanilino)ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-(4-phenylanilino)ethyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c1-33(30,31)27-16-21-10-6-5-9-20(21)15-23(27)25(29)32-17-24(28)26-22-13-11-19(12-14-22)18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3,(H,26,28)