(2-methylsulfanyl-3-phenyl-imidazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylsulfanyl-3-phenyl-imidazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methylsulfanyl-3-phenyl-imidazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(methylthio)-3-phenyl-4-imidazolyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanyl-3-phenylimidazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(methylthio)-3-phenyl-imidazol-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S2/c1-32-21-22-15-19(25(21)16-6-3-2-4-7-16)20(27)23-10-12-24(13-11-23)33(30,31)18-9-5-8-17(14-18)26(28)29/h2-9,14-15H,10-13H2,1H3