(2-methylsulfanylpyridin-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanylpyridin-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-pyridyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(methylthio)-3-pyridinyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylpyridin-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(methylthio)-3-pyridyl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S2/c1-27-16-15(6-3-7-18-16)17(22)19-8-10-20(11-9-19)28(25,26)14-5-2-4-13(12-14)21(23)24/h2-7,12H,8-11H2,1H3