N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methylsulfanyl-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methylsulfanyl-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(methylthio)benzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-methylsulfanylbenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(methylthio)benzamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H24N2O3S2/c1-26-19-10-5-4-9-18(19)20(23)21-12-6-14-27(24,25)22-13-11-16-7-2-3-8-17(16)15-22/h2-5,7-10H,6,11-15H2,1H3,(H,21,23)