1-(4-methylsulfonyl-2-nitro-phenyl)-4-(6-nitropyridin-3-yl)piperazine

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-(6-nitropyridin-3-yl)piperazine Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-4-(6-nitro-3-pyridyl)piperazine CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-(6-nitro-3-pyridinyl)piperazine IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-4-(6-nitropyridin-3-yl)piperazine Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-4-(6-nitro-3-pyridyl)piperazine Formula: C16H17N5O6S MolecularWeight: 407.40108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O6S/c1-28(26,27)13-3-4-14(15(10-13)20(22)23)19-8-6-18(7-9-19)12-2-5-16(17-11-12)21(24)25/h2-5,10-11H,6-9H2,1H3