2-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2,5-dimethoxyphenyl)sulfonyl-N-[3-(methylthio)propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S2/c1-28-18-9-10-20(29-2)21(14-18)31(26,27)24-15-17-8-5-4-7-16(17)13-19(24)22(25)23-11-6-12-30-3/h4-5,7-10,14,19H,6,11-13,15H2,1-3H3,(H,23,25)