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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]isonipecotamide Formula: C16H20N4O3S3 MolecularWeight: 412.55

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O3S3/c1-2-24-16-19-18-15(25-16)17-14(21)12-8-10-20(11-9-12)26(22,23)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H,17,18,21)