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

Systemtic Name: N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: N-[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [4-(1,4-diazepan-1-ylsulfonyl)phenyl]-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C18H20N6O3S/c25-24-17-5-2-1-4-16(17)21-18(22-24)20-14-6-8-15(9-7-14)28(26,27)23-12-3-10-19-11-13-23/h1-2,4-9,19H,3,10-13H2,(H,20,21,22)