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

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(methylthio)-3-nitrophenyl]-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-mesitylsulfonylpiperazino)-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O5S2/c1-14-11-15(2)20(16(3)12-14)31(28,29)23-9-7-22(8-10-23)21(25)17-5-6-19(30-4)18(13-17)24(26)27/h5-6,11-13H,7-10H2,1-4H3