1-(5-chloranylthiophen-2-yl)sulfonyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-piperidinecarboxamide IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(4,7-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(4,7-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)pipecolinamide Formula: C22H22ClN3O5S3 MolecularWeight: 540.07518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)N2CC#C

InChI

InChI=1S/C22H22ClN3O5S3/c1-4-12-25-19-15(30-2)8-9-16(31-3)20(19)33-22(25)24-21(27)14-7-5-6-13-26(14)34(28,29)18-11-10-17(23)32-18/h1,8-11,14H,5-7,12-13H2,2-3H3