1-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]isonipecotamide Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C21H23N3O4S3/c1-28-15-6-8-16(9-7-15)31(26,27)24-12-10-14(11-13-24)20(25)23-21-22-19-17(29-2)4-3-5-18(19)30-21/h3-9,14H,10-13H2,1-2H3,(H,22,23,25)