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

Systemtic Name: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-(3-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C25H22ClNO5S MolecularWeight: 483.96388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H22ClNO5S/c1-17(24(28)20-7-4-8-22(26)15-20)32-25(29)19-9-11-23(12-10-19)33(30,31)27-14-13-18-5-2-3-6-21(18)16-27/h2-12,15,17H,13-14,16H2,1H3