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

Systemtic Name: N-oxidanyl-1-(phenylmethyl)-4-sulfonyl-1,4-diazepan-4-ium-5-carboxamide Openeye Name: 1-benzyl-4-sulfonyl-1,4-diazepan-4-ium-5-carbohydroxamic acid CAS Name: N-hydroxy-1-(phenylmethyl)-4-sulfonyl-1,4-diazepan-4-ium-5-carboxamide IUPAC Name: 1-benzyl-N-hydroxy-4-sulfonyl-1,4-diazepan-4-ium-5-carboxamide Traditional Name: 1-benzyl-4-sulfonyl-1,4-diazepan-4-ium-5-carbohydroxamic acid Formula: C13H18N3O4S+ MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[N+](=S(=O)=O)C1C(=O)NO)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[N+](=S(=O)=O)C1C(=O)NO)CC2=CC=CC=C2

InChI

InChI=1S/C13H17N3O4S/c17-13(14-18)12-6-7-15(8-9-16(12)21(19)20)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H-,14,17,18)/p+1