(3S)-3-[(2S)-butan-2-yl]-7-methylsulfonyl-4-pyridin-4-ylcarbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: (3S)-3-[(2S)-butan-2-yl]-7-methylsulfonyl-4-pyridin-4-ylcarbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: (3S)-3-[(1S)-1-methylpropyl]-7-methylsulfonyl-4-(pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one CAS Name: (3S)-3-[(2S)-butan-2-yl]-7-methylsulfonyl-4-[oxo(pyridin-4-yl)methyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: (3S)-3-[(2S)-butan-2-yl]-7-methylsulfonyl-4-(pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one Traditional Name: (3S)-4-isonicotinoyl-7-mesyl-3-[(1S)-1-methylpropyl]-1,3-dihydroquinoxalin-2-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC2=C(N1C(=O)C3=CC=NC=C3)C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)NC2=C(N1C(=O)C3=CC=NC=C3)C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C19H21N3O4S/c1-4-12(2)17-18(23)21-15-11-14(27(3,25)26)5-6-16(15)22(17)19(24)13-7-9-20-10-8-13/h5-12,17H,4H2,1-3H3,(H,21,23)/t12-,17-/m0/s1