N'-butyl-N-[4-[(3,5-dinitrophenyl)carbonylamino]phenyl]sulfonyl-carbamimidate

Systemtic Name: N'-butyl-N-[4-[(3,5-dinitrophenyl)carbonylamino]phenyl]sulfonyl-carbamimidate Openeye Name: N'-butyl-N-[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonyl-carbamimidate CAS Name: N'-butyl-N-[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]phenyl]sulfonylcarbamimidate IUPAC Name: N'-butyl-N-[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonylcarbamimidate Traditional Name: N'-butyl-N-[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonyl-carbamimidate Formula: C18H18N5O8S- MolecularWeight: 464.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H19N5O8S/c1-2-3-8-19-18(25)21-32(30,31)16-6-4-13(5-7-16)20-17(24)12-9-14(22(26)27)11-15(10-12)23(28)29/h4-7,9-11H,2-3,8H2,1H3,(H,20,24)(H2,19,21,25)/p-1