N-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-(dimethylamino)phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-(dimethylamino)phenyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)N(C)C

InChI

InChI=1S/C25H27N3O3S/c1-18-11-13-23(14-12-18)32(30,31)28-17-20-8-5-4-7-19(20)15-24(28)25(29)26-21-9-6-10-22(16-21)27(2)3/h4-14,16,24H,15,17H2,1-3H3,(H,26,29)