1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]isonipecotamide Formula: C20H20FN3O3S3 MolecularWeight: 465.584503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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