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

Systemtic Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(3-nitrophenyl)sulfonylpiperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S2/c27-22(20-10-5-11-23-21(20)32-18-7-2-1-3-8-18)24-12-14-25(15-13-24)33(30,31)19-9-4-6-17(16-19)26(28)29/h1-11,16H,12-15H2