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

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C24H20ClNO5S MolecularWeight: 469.9373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H20ClNO5S/c25-22-8-4-3-7-21(22)23(27)16-31-24(28)18-9-11-20(12-10-18)32(29,30)26-14-13-17-5-1-2-6-19(17)15-26/h1-12H,13-16H2