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

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-chloranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-chloro-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-piperidinosulfonyl-benzamide Formula: C20H18ClF2N3O3S3 MolecularWeight: 518.020026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F)Cl

InChI

InChI=1S/C20H18ClF2N3O3S3/c21-14-6-4-12(10-17(14)32(28,29)26-8-2-1-3-9-26)18(27)25-20-24-15-7-5-13(30-19(22)23)11-16(15)31-20/h4-7,10-11,19H,1-3,8-9H2,(H,24,25,27)