2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Openeye Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide CAS Name: 2-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzenesulfonamide Traditional Name: 2-nitro-N-[3-[4-(2-pyrimidyl)piperazino]propyl]benzenesulfonamide Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC=CC=N3

InChI

InChI=1S/C17H22N6O4S/c24-23(25)15-5-1-2-6-16(15)28(26,27)20-9-4-10-21-11-13-22(14-12-21)17-18-7-3-8-19-17/h1-3,5-8,20H,4,9-14H2