4-[4-(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-(3-nitro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-(3-nitro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(4-keto-3-nitro-pyrido[1,2-a]pyrimidin-2-yl)piperazino]sulfonylbenzenesulfonamide Formula: C18H18N6O7S2 MolecularWeight: 494.50152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C18H18N6O7S2/c19-32(28,29)13-4-6-14(7-5-13)33(30,31)22-11-9-21(10-12-22)17-16(24(26)27)18(25)23-8-2-1-3-15(23)20-17/h1-8H,9-12H2,(H2,19,28,29)