3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: 3-nitro-4-[4-(2-pyrimidinyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: 3-nitro-4-[4-(2-pyrimidyl)piperazino]benzenesulfonamide Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C14H16N6O4S/c15-25(23,24)11-2-3-12(13(10-11)20(21)22)18-6-8-19(9-7-18)14-16-4-1-5-17-14/h1-5,10H,6-9H2,(H2,15,23,24)