N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine CAS Name: N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: [4-(1,4-diazepan-1-ylsulfonyl)phenyl]-(4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amine Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N=C3N=[N+](C4=CC=CC=C4N3O)[O-]

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N=C3N=[N+](C4=CC=CC=C4N3O)[O-]

InChI

InChI=1S/C18H20N6O4S/c25-23-16-4-1-2-5-17(16)24(26)21-18(23)20-14-6-8-15(9-7-14)29(27,28)22-12-3-10-19-11-13-22/h1-2,4-9,19,25H,3,10-13H2