4-[[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amino]methyl]benzenesulfonamide Formula: C22H25N7O4S MolecularWeight: 483.5434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O4S/c23-34(32,33)19-8-6-17(7-9-19)14-24-21-20(29(30)31)22(26-16-25-21)28-12-10-27(11-13-28)15-18-4-2-1-3-5-18/h1-9,16H,10-15H2,(H2,23,32,33)(H,24,25,26)