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

Systemtic Name: (3S)-N-[3-(dimethylcarbamoyl)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-[3-(dimethylcarbamoyl)phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-[3-[dimethylamino(oxo)methyl]phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-[3-(dimethylcarbamoyl)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-[3-(dimethylcarbamoyl)phenyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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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)C(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NC4=CC=CC(=C4)C(=O)N(C)C

InChI

InChI=1S/C26H27N3O4S/c1-18-11-13-23(14-12-18)34(32,33)29-17-21-8-5-4-7-19(21)16-24(29)25(30)27-22-10-6-9-20(15-22)26(31)28(2)3/h4-15,24H,16-17H2,1-3H3,(H,27,30)/t24-/m0/s1