N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H21BrFN3O3S2 MolecularWeight: 526.442143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C=CC=C2Br)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21BrFN3O3S2/c1-2-26-19-17(22)4-3-5-18(19)30-21(26)24-20(27)14-10-12-25(13-11-14)31(28,29)16-8-6-15(23)7-9-16/h3-9,14H,2,10-13H2,1H3