(Z,3S)-1-diazonio-5-methyl-3-[[(4S,7S)-7-(methylsulfonylamino)-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-4-yl]carbonylamino]hex-1-en-2-olate

Systemtic Name: (Z,3S)-1-diazonio-5-methyl-3-[[(4S,7S)-7-(methylsulfonylamino)-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepin-4-yl]carbonylamino]hex-1-en-2-olate Openeye Name: (Z,3S)-1-diazonio-3-[[(4S,7S)-7-(methanesulfonamido)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-methyl-hex-1-en-2-olate CAS Name: (Z,3S)-1-diazonio-3-[[[(4S,7S)-7-(methanesulfonamido)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepin-4-yl]-oxomethyl]amino]-5-methyl-1-hexen-2-olate IUPAC Name: (Z,3S)-1-diazonio-3-[[(4S,7S)-7-(methanesulfonamido)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-methylhex-1-en-2-olate Traditional Name: (Z,3S)-1-diazonio-3-[[(4S,7S)-6,10-diketo-7-(methanesulfonamido)-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carbonyl]amino]-5-methyl-hex-1-en-2-olate Formula: C18H28N6O6S MolecularWeight: 456.51652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=C[N+]#N)[O-])NC(=O)C1CCCN2N1C(=O)C(CCC2=O)NS(=O)(=O)C

Isomeric SMILES

CC(C)C[C@@H](/C(=C/[N+]#N)/[O-])NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NS(=O)(=O)C

InChI

InChI=1S/C18H28N6O6S/c1-11(2)9-13(15(25)10-20-19)21-17(27)14-5-4-8-23-16(26)7-6-12(18(28)24(14)23)22-31(3,29)30/h10-14,22H,4-9H2,1-3H3,(H-,21,25,27)/b15-10-/t12-,13-,14-/m0/s1