2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-propylsulfonyl-benzamide

Systemtic Name: 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-propylsulfonyl-benzamide Openeye Name: 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-propylsulfonyl-benzamide CAS Name: 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-propylsulfonylbenzamide IUPAC Name: 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-propylsulfonylbenzamide Traditional Name: 2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-propylsulfonyl-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)NC2=CC=CC3=C2CCN(C3)C

Isomeric SMILES

CCCS(=O)(=O)C1=CC(=C(C=C1)OC)C(=O)NC2=CC=CC3=C2CCN(C3)C

InChI

InChI=1S/C21H26N2O4S/c1-4-12-28(25,26)16-8-9-20(27-3)18(13-16)21(24)22-19-7-5-6-15-14-23(2)11-10-17(15)19/h5-9,13H,4,10-12,14H2,1-3H3,(H,22,24)