4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-nitro-benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-13-3-6-18(14(2)11-13)29(27,28)22-9-7-21(8-10-22)16-5-4-15(19(20)24)12-17(16)23(25)26/h3-6,11-12H,7-10H2,1-2H3,(H2,20,24)