(3S)-3-(2-methylpropyl)-7-methylsulfonyl-4-(2-phenylethanoyl)-1,3-dihydroquinoxalin-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC2=C(N1C(=O)CC3=CC=CC=C3)C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-14(2)11-19-21(25)22-17-13-16(28(3,26)27)9-10-18(17)23(19)20(24)12-15-7-5-4-6-8-15/h4-10,13-14,19H,11-12H2,1-3H3,(H,22,25)/t19-/m0/s1