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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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