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

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

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC)C

InChI

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