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

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methanone Formula: C22H27N3O5S MolecularWeight: 445.53188

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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(=CC(=C3C)C)C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-14-6-7-19(13-20(14)25(27)28)22(26)23-8-10-24(11-9-23)31(29,30)21-17(4)15(2)12-16(3)18(21)5/h6-7,12-13H,8-11H2,1-5H3