N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-ethylsulfanyl-benzamide

Systemtic Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-ethylsulfanyl-benzamide Openeye Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-ethylsulfanyl-benzamide CAS Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-(ethylthio)benzamide IUPAC Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-ethylsulfanylbenzamide Traditional Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-(ethylthio)benzamide Formula: C23H30N2O5S2 MolecularWeight: 478.6247

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C23H30N2O5S2/c1-4-31-22-9-6-5-8-19(22)23(26)24-11-7-13-32(27,28)25-12-10-17-14-20(29-2)21(30-3)15-18(17)16-25/h5-6,8-9,14-15H,4,7,10-13,16H2,1-3H3,(H,24,26)