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

Systemtic Name: N-[6-bromanyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[6-bromo-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C22H23BrFN3O4S2 MolecularWeight: 556.468123

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23BrFN3O4S2/c1-31-13-12-27-19-7-2-16(23)14-20(19)32-22(27)25-21(28)15-8-10-26(11-9-15)33(29,30)18-5-3-17(24)4-6-18/h2-7,14-15H,8-13H2,1H3