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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4S2/c1-32-23-11-13-24(14-12-23)34(30,31)28-18-22-10-6-5-9-21(22)17-25(28)26(29)27-15-16-33-19-20-7-3-2-4-8-20/h2-14,25H,15-19H2,1H3,(H,27,29)