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

Systemtic Name: 3-nitro-N-propan-2-yl-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]benzenesulfonamide Formula: C20H30N7O4S+ MolecularWeight: 464.5617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N7O4S/c1-16(2)24-32(30,31)17-5-6-18(19(15-17)27(28)29)21-9-4-10-25-11-13-26(14-12-25)20-22-7-3-8-23-20/h3,5-8,15-16,21,24H,4,9-14H2,1-2H3/p+1