N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)nipecotamide Formula: C19H17F2N3O3S2 MolecularWeight: 437.483386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F

InChI

InChI=1S/C19H17F2N3O3S2/c20-13-9-15(21)17-16(10-13)28-19(22-17)23-18(25)12-5-4-8-24(11-12)29(26,27)14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,22,23,25)