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

Systemtic Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(p-tolylsulfonyl)-N-(2-pyridylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(2-pyridinylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2-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=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)NCC4=CC=CC=N4

InChI

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