N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(6-fluoro-1,3-benzothiazol-2-yl)nipecotamide Formula: C19H18FN3O3S2 MolecularWeight: 419.492923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C19H18FN3O3S2/c20-14-8-9-16-17(11-14)27-19(21-16)22-18(24)13-5-4-10-23(12-13)28(25,26)15-6-2-1-3-7-15/h1-3,6-9,11,13H,4-5,10,12H2,(H,21,22,24)