2-nitro-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Openeye Name: 2-nitro-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide CAS Name: 2-nitro-N-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]benzenesulfonamide Traditional Name: 2-nitro-N-[4-[4-(2-pyrimidyl)piperazino]butyl]benzenesulfonamide Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C18H24N6O4S/c25-24(26)16-6-1-2-7-17(16)29(27,28)21-10-3-4-11-22-12-14-23(15-13-22)18-19-8-5-9-20-18/h1-2,5-9,21H,3-4,10-15H2