4-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazino]methyl]benzonitrile Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-15-11-19(24(25)26)12-20(16(15)2)29(27,28)23-9-7-22(8-10-23)14-18-5-3-17(13-21)4-6-18/h3-6,11-12H,7-10,14H2,1-2H3