N-(1-methylsulfonylpiperidin-4-yl)-4-nitro-benzamide

Systemtic Name: N-(1-methylsulfonylpiperidin-4-yl)-4-nitro-benzamide Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-4-nitro-benzamide CAS Name: N-(1-methylsulfonyl-4-piperidinyl)-4-nitrobenzamide IUPAC Name: N-(1-methylsulfonylpiperidin-4-yl)-4-nitrobenzamide Traditional Name: N-(1-mesyl-4-piperidyl)-4-nitro-benzamide Formula: C13H17N3O5S MolecularWeight: 327.35618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S/c1-22(20,21)15-8-6-11(7-9-15)14-13(17)10-2-4-12(5-3-10)16(18)19/h2-5,11H,6-9H2,1H3,(H,14,17)