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

Systemtic Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(p-tolylsulfonyl)-N-(3-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-pyridylmethyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-17-8-10-21(11-9-17)30(28,29)26-16-20-7-3-2-6-19(20)13-22(26)23(27)25-15-18-5-4-12-24-14-18/h2-12,14,22H,13,15-16H2,1H3,(H,25,27)/t22-/m0/s1