N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(methylsulfinylmethyl)benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(methylsulfinylmethyl)benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(methylsulfinylmethyl)benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(methylsulfinylmethyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(methylsulfinylmethyl)benzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(methylsulfinylmethyl)benzamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC(=CC=C1)CS(=O)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)C1=CC(=CC=C1)CS(=O)C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2O2S/c1-3-21(24-12-11-18-8-4-5-9-20(18)15-24)14-23-22(25)19-10-6-7-17(13-19)16-27(2)26/h4-10,13,21H,3,11-12,14-16H2,1-2H3,(H,23,25)