1-(3-methylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide

Systemtic Name: 1-(3-methylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Openeye Name: 1-(m-tolyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide CAS Name: 1-(3-methylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide IUPAC Name: 1-(3-methylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Traditional Name: 1-(m-tolyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C20H26N2O4S2/c1-3-11-28(25,26)22-10-9-18-7-8-20(13-19(18)14-22)21-27(23,24)15-17-6-4-5-16(2)12-17/h4-8,12-13,21H,3,9-11,14-15H2,1-2H3