N-methyl-3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]benzenesulfonamide Formula: C18H26N7O4S+ MolecularWeight: 436.50854

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCC[NH+]2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N7O4S/c1-19-30(28,29)15-4-5-16(17(14-15)25(26)27)20-8-3-9-23-10-12-24(13-11-23)18-21-6-2-7-22-18/h2,4-7,14,19-20H,3,8-13H2,1H3/p+1