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

Systemtic Name: (3S)-3-[(2S)-butan-2-yl]-4-(3-methylbutanoyl)-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one Openeye Name: (3S)-4-(3-methylbutanoyl)-3-[(1S)-1-methylpropyl]-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one CAS Name: (3S)-3-[(2S)-butan-2-yl]-4-(3-methyl-1-oxobutyl)-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one IUPAC Name: (3S)-3-[(2S)-butan-2-yl]-4-(3-methylbutanoyl)-7-methylsulfonyl-1,3-dihydroquinoxalin-2-one Traditional Name: (3S)-4-isovaleryl-7-mesyl-3-[(1S)-1-methylpropyl]-1,3-dihydroquinoxalin-2-one Formula: C18H26N2O4S MolecularWeight: 366.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-6-12(4)17-18(22)19-14-10-13(25(5,23)24)7-8-15(14)20(17)16(21)9-11(2)3/h7-8,10-12,17H,6,9H2,1-5H3,(H,19,22)/t12-,17-/m0/s1