N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C22H25N3O5S3 MolecularWeight: 507.646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC)OC

InChI

InChI=1S/C22H25N3O5S3/c1-29-18-12-17-20(13-19(18)30-2)32-22(23-17)24-21(26)14-8-10-25(11-9-14)33(27,28)16-6-4-15(31-3)5-7-16/h4-7,12-14H,8-11H2,1-3H3,(H,23,24,26)