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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4SC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C22H25N3O3S3/c1-14-12-17-19(13-15(14)2)30-22(23-17)24-21(26)16-8-10-25(11-9-16)31(27,28)20-7-5-4-6-18(20)29-3/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,24,26)