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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(mesylmethyl)benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-3-21(24-13-12-18-6-4-5-7-20(18)15-24)14-23-22(25)19-10-8-17(9-11-19)16-28(2,26)27/h4-11,21H,3,12-16H2,1-2H3,(H,23,25)