2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]piperazino]pyrimidine Formula: C19H25N7O4S MolecularWeight: 447.5113

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H25N7O4S/c1-22-7-13-25(14-8-22)31(29,30)16-3-4-17(18(15-16)26(27)28)23-9-11-24(12-10-23)19-20-5-2-6-21-19/h2-6,15H,7-14H2,1H3