4-[2-[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C23H27N7O4S MolecularWeight: 497.56998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O4S/c24-35(33,34)20-8-6-18(7-9-20)10-11-25-22-21(30(31)32)23(27-17-26-22)29-14-12-28(13-15-29)16-19-4-2-1-3-5-19/h1-9,17H,10-16H2,(H2,24,33,34)(H,25,26,27)