(3S)-1-(4-fluorophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C17H19FN4O3S3 MolecularWeight: 442.551163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN4O3S3/c1-2-10-26-17-21-20-16(27-17)19-15(23)12-4-3-9-22(11-12)28(24,25)14-7-5-13(18)6-8-14/h2,5-8,12H,1,3-4,9-11H2,(H,19,20,23)/t12-/m0/s1