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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

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