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

Systemtic Name: 4-[2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amino]ethyl]benzenesulfonamide Formula: C17H23N7O4S MolecularWeight: 421.47402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCCC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O4S/c1-22-8-10-23(11-9-22)17-15(24(25)26)16(20-12-21-17)19-7-6-13-2-4-14(5-3-13)29(18,27)28/h2-5,12H,6-11H2,1H3,(H2,18,27,28)(H,19,20,21)