1-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-tosyl-isonipecotamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C21H23N3O3S3/c1-14-3-6-17(7-4-14)30(26,27)24-11-9-15(10-12-24)20(25)22-16-5-8-18-19(13-16)29-21(23-18)28-2/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)