N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C21H21F2N3O3S3 MolecularWeight: 497.601546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H21F2N3O3S3/c1-13-5-6-14(11-18(13)32(28,29)26-9-3-2-4-10-26)19(27)25-21-24-16-8-7-15(30-20(22)23)12-17(16)31-21/h5-8,11-12,20H,2-4,9-10H2,1H3,(H,24,25,27)