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

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-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=C4S(=O)(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

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