1-(5-chloranylthiophen-2-yl)sulfonyl-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-piperidinecarboxamide IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(5,6-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=C(C=C2C(=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl)S2)CC#C)OC

InChI

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