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

Systemtic Name: 1-(2-methylsulfanylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-(2-methylsulfanylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-(2-methylsulfanylphenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C21H23N3O5S4 MolecularWeight: 525.68442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H23N3O5S4/c1-30-17-5-3-4-6-19(17)33(28,29)24-11-9-14(10-12-24)20(25)23-21-22-16-8-7-15(32(2,26)27)13-18(16)31-21/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)