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

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 4-[[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C25H31N7O4S MolecularWeight: 525.62314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N7O4S/c1-3-31(4-2)37(35,36)22-12-10-21(11-13-22)28-24-23(32(33)34)25(27-19-26-24)30-16-14-29(15-17-30)18-20-8-6-5-7-9-20/h5-13,19H,3-4,14-18H2,1-2H3,(H,26,27,28)