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

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-4-bromanyl-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-bromo-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-morpholinosulfonyl-benzamide CAS Name: 4-bromo-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-bromo-N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-bromo-N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-3-morpholinosulfonyl-benzamide Formula: C19H16BrF2N3O4S3 MolecularWeight: 564.443846

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F)Br

InChI

InChI=1S/C19H16BrF2N3O4S3/c20-13-3-1-11(9-16(13)32(27,28)25-5-7-29-8-6-25)17(26)24-19-23-14-4-2-12(30-18(21)22)10-15(14)31-19/h1-4,9-10,18H,5-8H2,(H,23,24,26)