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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H19BrFN3O3S2 MolecularWeight: 536.436963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrFN3O3S2/c1-2-11-27-19-8-3-16(23)14-20(19)31-22(27)25-21(28)15-9-12-26(13-10-15)32(29,30)18-6-4-17(24)5-7-18/h1,3-8,14-15H,9-13H2