N-[2-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27ClN2O5S MolecularWeight: 515.02098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCC4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C26H27ClN2O5S/c1-33-24-11-10-22(16-25(24)34-2)35(31,32)29-17-20-8-4-3-7-19(20)15-23(29)26(30)28-13-12-18-6-5-9-21(27)14-18/h3-11,14,16,23H,12-13,15,17H2,1-2H3,(H,28,30)