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

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(6-mesyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C20H20FN3O5S3 MolecularWeight: 497.583303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O5S3/c1-31(26,27)16-8-9-17-18(11-16)30-20(22-17)23-19(25)13-3-2-10-24(12-13)32(28,29)15-6-4-14(21)5-7-15/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,23,25)/t13-/m0/s1