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

Systemtic Name: 3-nitro-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: 3-nitro-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide CAS Name: 3-nitro-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: 3-nitro-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: 3-nitro-4-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methyl]benzamide Formula: C22H28N4O5S MolecularWeight: 460.54652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H28N4O5S/c1-14-11-15(2)17(4)21(16(14)3)32(30,31)25-9-7-24(8-10-25)13-19-6-5-18(22(23)27)12-20(19)26(28)29/h5-6,11-12H,7-10,13H2,1-4H3,(H2,23,27)