N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C20H19F2N3O4S3 MolecularWeight: 499.574366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F

InChI

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