1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-(2-thienylsulfanyl)ethanone CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-(thiophen-2-ylthio)ethanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-2-(2-thienylthio)ethanone Formula: C17H19N3O5S3 MolecularWeight: 441.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CS3

InChI

InChI=1S/C17H19N3O5S3/c1-13-4-5-14(20(22)23)11-15(13)28(24,25)19-8-6-18(7-9-19)16(21)12-27-17-3-2-10-26-17/h2-5,10-11H,6-9,12H2,1H3