N'-[(E)-3-[(4-nitrophenyl)sulfonylamino]-3-oxidanylidene-1-pyridin-1-ium-1-yl-prop-1-enyl]carbamimidate

Systemtic Name: N'-[(E)-3-[(4-nitrophenyl)sulfonylamino]-3-oxidanylidene-1-pyridin-1-ium-1-yl-prop-1-enyl]carbamimidate Openeye Name: N'-[(E)-3-[(4-nitrophenyl)sulfonylamino]-3-oxo-1-pyridin-1-ium-1-yl-prop-1-enyl]carbamimidate CAS Name: N'-[(E)-3-[(4-nitrophenyl)sulfonylamino]-3-oxo-1-(1-pyridin-1-iumyl)prop-1-enyl]carbamimidate IUPAC Name: N'-[(E)-3-[(4-nitrophenyl)sulfonylamino]-3-oxo-1-pyridin-1-ium-1-ylprop-1-enyl]carbamimidate Traditional Name: N'-[(E)-3-keto-3-(nosylamino)-1-pyridin-1-ium-1-yl-prop-1-enyl]carbamimidate Formula: C15H13N5O6S MolecularWeight: 391.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=[N+](C=C1)/C(=C/C(=O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/N=C(\N)/[O-]

InChI

InChI=1S/C15H13N5O6S/c16-15(22)17-13(19-8-2-1-3-9-19)10-14(21)18-27(25,26)12-6-4-11(5-7-12)20(23)24/h1-10H,(H3-,16,17,18,21,22)