(3S)-N-(3-cyanophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(3-cyanophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(3-cyanophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(3-cyanophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(3-cyanophenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(3-cyanophenyl)-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H17N3O3S/c1-25(23,24)21-12-15-7-3-2-6-14(15)10-17(21)18(22)20-16-8-4-5-13(9-16)11-19/h2-9,17H,10,12H2,1H3,(H,20,22)/t17-/m0/s1