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

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methoxyphenyl)sulfonyl-N-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)sulfonyl-N-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-27-18-8-10-19(11-9-18)29(25,26)23-15-17-7-4-3-6-16(17)14-20(23)21(24)22-12-5-13-28-2/h3-4,6-11,20H,5,12-15H2,1-2H3,(H,22,24)