[(2S)-4-methylsulfonyl-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)butan-2-yl]azanium

Systemtic Name: [(2S)-4-methylsulfonyl-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)butan-2-yl]azanium Openeye Name: [(1S)-3-methylsulfonyl-1-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)propyl]ammonium CAS Name: [(2S)-4-methylsulfonyl-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)butan-2-yl]ammonium IUPAC Name: [(2S)-4-methylsulfonyl-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)butan-2-yl]azanium Traditional Name: [(1S)-1-(3-keto-2,4-dihydroquinoxaline-1-carbonyl)-3-mesyl-propyl]ammonium Formula: C13H18N3O4S+ MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CC(=O)NC2=CC=CC=C21)[NH3+]

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)N1CC(=O)NC2=CC=CC=C21)[NH3+]

InChI

InChI=1S/C13H17N3O4S/c1-21(19,20)7-6-9(14)13(18)16-8-12(17)15-10-4-2-3-5-11(10)16/h2-5,9H,6-8,14H2,1H3,(H,15,17)/p+1/t9-/m0/s1