2-chloranyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[4-(4-mesylpiperazino)phenyl]-5-nitro-benzamide Formula: C18H19ClN4O5S MolecularWeight: 438.88526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O5S/c1-29(27,28)22-10-8-21(9-11-22)14-4-2-13(3-5-14)20-18(24)16-12-15(23(25)26)6-7-17(16)19/h2-7,12H,8-11H2,1H3,(H,20,24)