4-(4-methylpiperazin-1-yl)-N-(3-methylsulfonylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N-(3-methylsulfonylphenyl)-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-N-(3-methylsulfonylphenyl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-N-(3-methylsulfonylphenyl)-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-N-(3-methylsulfonylphenyl)-3-nitrobenzamide Traditional Name: N-(3-mesylphenyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

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