ethyl 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClNO4S/c1-2-24-18(21)17-11-13-5-3-4-6-14(13)12-20(17)25(22,23)16-9-7-15(19)8-10-16/h3-10,17H,2,11-12H2,1H3