phenacyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: phenacyl 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: phenacyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid phenacyl 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=C(C=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

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

InChI

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