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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-ethyl-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:

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

Isomeric SMILES

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

InChI

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