N-oxidanyl-1-(phenylcarbonyl)-4-sulfonyl-1,4-diazepan-4-ium-5-carboxamide

Systemtic Name: N-oxidanyl-1-(phenylcarbonyl)-4-sulfonyl-1,4-diazepan-4-ium-5-carboxamide Openeye Name: 1-benzoyl-4-sulfonyl-1,4-diazepan-4-ium-5-carbohydroxamic acid CAS Name: 1-benzoyl-N-hydroxy-4-sulfonyl-1,4-diazepan-4-ium-5-carboxamide IUPAC Name: 1-benzoyl-N-hydroxy-4-sulfonyl-1,4-diazepan-4-ium-5-carboxamide Traditional Name: 1-benzoyl-4-sulfonyl-1,4-diazepan-4-ium-5-carbohydroxamic acid Formula: C13H16N3O5S+ MolecularWeight: 326.34824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[N+](=S(=O)=O)C1C(=O)NO)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CC[N+](=S(=O)=O)C1C(=O)NO)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15N3O5S/c17-12(14-19)11-6-7-15(8-9-16(11)22(20)21)13(18)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H-,14,17,19)/p+1