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

Systemtic Name: (3S)-3-[(2S)-butan-2-yl]-7-methylsulfonyl-4-(2-phenylethanoyl)-1,3-dihydroquinoxalin-2-one Openeye Name: (3S)-3-[(1S)-1-methylpropyl]-7-methylsulfonyl-4-(2-phenylacetyl)-1,3-dihydroquinoxalin-2-one CAS Name: (3S)-3-[(2S)-butan-2-yl]-7-methylsulfonyl-4-(1-oxo-2-phenylethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: (3S)-3-[(2S)-butan-2-yl]-7-methylsulfonyl-4-(2-phenylacetyl)-1,3-dihydroquinoxalin-2-one Traditional Name: (3S)-7-mesyl-3-[(1S)-1-methylpropyl]-4-(2-phenylacetyl)-1,3-dihydroquinoxalin-2-one Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NC2=C(N1C(=O)CC3=CC=CC=C3)C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)NC2=C(N1C(=O)CC3=CC=CC=C3)C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-4-14(2)20-21(25)22-17-13-16(28(3,26)27)10-11-18(17)23(20)19(24)12-15-8-6-5-7-9-15/h5-11,13-14,20H,4,12H2,1-3H3,(H,22,25)/t14-,20-/m0/s1