1-[2,4-bis(fluoranyl)phenyl]sulfonyl-N-(6-bromanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]sulfonyl-N-(6-bromanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2,4-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2,4-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2,4-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-1-(2,4-difluorophenyl)sulfonyl-isonipecotamide Formula: C19H16BrF2N3O3S2 MolecularWeight: 516.379446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)S(=O)(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)S(=O)(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C19H16BrF2N3O3S2/c20-12-1-3-15-16(9-12)29-19(23-15)24-18(26)11-5-7-25(8-6-11)30(27,28)17-4-2-13(21)10-14(17)22/h1-4,9-11H,5-8H2,(H,23,24,26)