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

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-methyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-4-methyl-3-morpholinosulfonyl-benzamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-4-methyl-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-4-methyl-3-morpholinosulfonyl-benzamide Formula: C20H19F2N3O4S3 MolecularWeight: 499.574366

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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)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)SC(F)F)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H19F2N3O4S3/c1-12-2-3-13(10-17(12)32(27,28)25-6-8-29-9-7-25)18(26)24-20-23-15-5-4-14(30-19(21)22)11-16(15)31-20/h2-5,10-11,19H,6-9H2,1H3,(H,23,24,26)