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

Systemtic Name: 1-(2-methylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Openeye Name: 1-(o-tolyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide CAS Name: 1-(2-methylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide IUPAC Name: 1-(2-methylphenyl)-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide Traditional Name: 1-(o-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=C3C

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3C

InChI

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