N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-bromanyl-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-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=C(C=C2)Br)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

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