N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-chloro-4-fluoro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-(3-chloro-4-fluoro-phenyl)sulfonyl-isonipecotamide Formula: C21H21ClFN3O3S2 MolecularWeight: 481.991143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3O3S2/c22-16-13-15(5-6-17(16)23)31(28,29)26-11-8-14(9-12-26)21(27)24-10-7-20-25-18-3-1-2-4-19(18)30-20/h1-6,13-14H,7-12H2,(H,24,27)