(4-methylsulfanyl-3-nitro-phenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(methylthio)-3-nitro-phenyl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methanone Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H27N3O5S2/c1-14-12-15(2)17(4)21(16(14)3)32(29,30)24-10-8-23(9-11-24)22(26)18-6-7-20(31-5)19(13-18)25(27)28/h6-7,12-13H,8-11H2,1-5H3