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

Systemtic Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(4-mesylpiperazino)phenyl]-3-nitro-4-piperidino-benzamide Formula: C23H29N5O5S MolecularWeight: 487.57186

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=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O5S/c1-34(32,33)27-15-13-25(14-16-27)20-8-6-19(7-9-20)24-23(29)18-5-10-21(22(17-18)28(30)31)26-11-3-2-4-12-26/h5-10,17H,2-4,11-16H2,1H3,(H,24,29)