(3S)-4-(3-methylbutanoyl)-7-methylsulfonyl-3-(phenylmethyl)-1,3-dihydroquinoxalin-2-one

Systemtic Name: (3S)-4-(3-methylbutanoyl)-7-methylsulfonyl-3-(phenylmethyl)-1,3-dihydroquinoxalin-2-one Openeye Name: (3S)-3-benzyl-4-(3-methylbutanoyl)-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one CAS Name: (3S)-4-(3-methyl-1-oxobutyl)-7-methylsulfonyl-3-(phenylmethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: (3S)-3-benzyl-4-(3-methylbutanoyl)-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one Traditional Name: (3S)-3-benzyl-4-isovaleryl-7-mesyl-1,3-dihydroquinoxalin-2-one Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(=O)N1[C@H](C(=O)NC2=C1C=CC(=C2)S(=O)(=O)C)CC3=CC=CC=C3

InChI

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