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

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(methylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(methylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S2/c1-27-19-9-8-17(13-20(19)28-2)30(25,26)23-14-16-7-5-4-6-15(16)12-18(23)21(24)22-10-11-29-3/h4-9,13,18H,10-12,14H2,1-3H3,(H,22,24)