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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C20H19F2N3O3S3 MolecularWeight: 483.574966

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(C=C(C=C4S3)F)F

InChI

InChI=1S/C20H19F2N3O3S3/c1-29-14-2-4-15(5-3-14)31(27,28)25-8-6-12(7-9-25)19(26)24-20-23-18-16(22)10-13(21)11-17(18)30-20/h2-5,10-12H,6-9H2,1H3,(H,23,24,26)