1-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]nipecotamide Formula: C20H20FN3O3S3 MolecularWeight: 465.584503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O3S3/c1-28-16-5-2-6-17-18(16)22-20(29-17)23-19(25)13-4-3-11-24(12-13)30(26,27)15-9-7-14(21)8-10-15/h2,5-10,13H,3-4,11-12H2,1H3,(H,22,23,25)