2-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-furylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-furanylmethylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2-furfurylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSCC4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSCC4=CC=CO4)OC

InChI

InChI=1S/C25H28N2O6S2/c1-31-23-10-9-21(15-24(23)32-2)35(29,30)27-16-19-7-4-3-6-18(19)14-22(27)25(28)26-11-13-34-17-20-8-5-12-33-20/h3-10,12,15,22H,11,13-14,16-17H2,1-2H3,(H,26,28)