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

Systemtic Name: 3-nitro-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 3-nitro-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 3-nitro-N-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 3-nitro-N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C21H20N6O5S MolecularWeight: 468.4857

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O5S/c28-20(25-11-13-26(14-12-25)21-22-9-2-10-23-21)16-5-7-17(8-6-16)24-33(31,32)19-4-1-3-18(15-19)27(29)30/h1-10,15,24H,11-14H2