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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(3-mesylphenyl)sulfonyl-isonipecotamide Formula: C22H25N3O5S3 MolecularWeight: 507.646

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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(=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S3/c1-14-11-19-20(12-15(14)2)31-22(23-19)24-21(26)16-7-9-25(10-8-16)33(29,30)18-6-4-5-17(13-18)32(3,27)28/h4-6,11-13,16H,7-10H2,1-3H3,(H,23,24,26)