2-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 2-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-2-methyl-3-nitro-benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)N3CCN(CC3)S(=O)(=O)C

InChI

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