N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)isonipecotamide Formula: C22H32N4O3S2 MolecularWeight: 464.64448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H32N4O3S2/c1-2-3-4-5-6-10-13-20-24-25-22(30-20)23-21(27)18-14-16-26(17-15-18)31(28,29)19-11-8-7-9-12-19/h7-9,11-12,18H,2-6,10,13-17H2,1H3,(H,23,25,27)