(3S)-N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2,4-dimethylphenyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2,4-dimethylphenyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-17-8-11-22(12-9-17)31(29,30)27-16-21-7-5-4-6-20(21)15-24(27)25(28)26-23-13-10-18(2)14-19(23)3/h4-14,24H,15-16H2,1-3H3,(H,26,28)/t24-/m0/s1