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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-isonipecotamide Formula: C19H17ClFN3O3S2 MolecularWeight: 453.937983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H17ClFN3O3S2/c20-14-11-13(5-6-15(14)21)29(26,27)24-9-7-12(8-10-24)18(25)23-19-22-16-3-1-2-4-17(16)28-19/h1-6,11-12H,7-10H2,(H,22,23,25)