[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CNC3=S)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S2/c1-27-15-5-4-12(11-14(15)21(23)24)29(25,26)20-9-7-19(8-10-20)17(22)13-3-2-6-18-16(13)28/h2-6,11H,7-10H2,1H3,(H,18,28)