(4-ethanoylphenyl) 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (4-ethanoylphenyl) 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (4-acetylphenyl) 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (4-acetylphenyl) ester Formula: C24H20ClNO5S MolecularWeight: 469.9373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClNO5S/c1-16(27)17-6-8-20(9-7-17)31-24(28)22-14-21(10-11-23(22)25)32(29,30)26-13-12-18-4-2-3-5-19(18)15-26/h2-11,14H,12-13,15H2,1H3