[oxidanyl-[C-[3-(phenylmethyl)-1H-1,2-diazet-2-yl]carbonimidoyl]amino] 4-methylbenzenesulfonate

Systemtic Name: [oxidanyl-[C-[3-(phenylmethyl)-1H-1,2-diazet-2-yl]carbonimidoyl]amino] 4-methylbenzenesulfonate Openeye Name: [(3-benzyl-1H-diazete-2-carboximidoyl)-hydroxy-amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[imino-[3-(phenylmethyl)-1H-diazet-2-yl]methyl]amino] ester IUPAC Name: [(3-benzyl-1H-diazete-2-carboximidoyl)-hydroxyamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3-benzyl-1H-diazete-2-carboximidoyl)-hydroxy-amino] ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON(C(=N)N2C(=CN2)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON(C(=N)N2C(=CN2)CC3=CC=CC=C3)O

InChI

InChI=1S/C17H18N4O4S/c1-13-7-9-16(10-8-13)26(23,24)25-21(22)17(18)20-15(12-19-20)11-14-5-3-2-4-6-14/h2-10,12,18-19,22H,11H2,1H3