2-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-[2-(methylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-N-[2-(methylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSC

InChI

InChI=1S/C20H24N2O4S2/c1-26-17-7-9-18(10-8-17)28(24,25)22-14-16-6-4-3-5-15(16)13-19(22)20(23)21-11-12-27-2/h3-10,19H,11-14H2,1-2H3,(H,21,23)