(3S)-N-(6-methoxypyridin-3-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(6-methoxypyridin-3-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(6-methoxy-3-pyridyl)-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(6-methoxy-3-pyridinyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(6-methoxypyridin-3-yl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(6-methoxy-3-pyridyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O4S/c1-16-7-10-20(11-8-16)31(28,29)26-15-18-6-4-3-5-17(18)13-21(26)23(27)25-19-9-12-22(30-2)24-14-19/h3-12,14,21H,13,15H2,1-2H3,(H,25,27)/t21-/m0/s1