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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-mesitylsulfonylpiperazino)-(4-methyl-3-nitro-phenyl)methanone Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-14-11-16(3)20(17(4)12-14)30(28,29)23-9-7-22(8-10-23)21(25)18-6-5-15(2)19(13-18)24(26)27/h5-6,11-13H,7-10H2,1-4H3