(3S)-2-(8-methylquinolin-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(8-methylquinolin-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(8-methyl-5-quinolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(8-methyl-5-quinolinyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(8-methylquinolin-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[(8-methyl-5-quinolyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)N)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N)C=CC=N2

InChI

InChI=1S/C20H19N3O3S/c1-13-8-9-18(16-7-4-10-22-19(13)16)27(25,26)23-12-15-6-3-2-5-14(15)11-17(23)20(21)24/h2-10,17H,11-12H2,1H3,(H2,21,24)/t17-/m0/s1