N-(6-methoxypyrimidin-4-yl)-4-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonamide

Systemtic Name: N-(6-methoxypyrimidin-4-yl)-4-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonamide Openeye Name: N-(6-methoxypyrimidin-4-yl)-4-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonamide CAS Name: N-(6-methoxy-4-pyrimidinyl)-4-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]benzenesulfonamide IUPAC Name: N-(6-methoxypyrimidin-4-yl)-4-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]benzenesulfonamide Traditional Name: 4-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide Formula: C18H15N5O6S MolecularWeight: 429.4066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N/C=C/3\C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6S/c1-29-18-9-17(20-11-21-18)22-30(27,28)15-5-2-13(3-6-15)19-10-12-8-14(23(25)26)4-7-16(12)24/h2-11,19H,1H3,(H,20,21,22)/b12-10+