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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-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=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

InChI

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