methyl (3R)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[(E)-2-(4-chlorophenyl)vinyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1S(=O)(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClNO4S/c1-25-19(22)18-12-15-4-2-3-5-16(15)13-21(18)26(23,24)11-10-14-6-8-17(20)9-7-14/h2-11,18H,12-13H2,1H3/b11-10+/t18-/m1/s1