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

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(2-mesylphenyl)sulfonyl-isonipecotamide Formula: C22H25N3O7S3 MolecularWeight: 539.6448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C)OC

InChI

InChI=1S/C22H25N3O7S3/c1-31-16-12-15-18(13-17(16)32-2)33-22(23-15)24-21(26)14-8-10-25(11-9-14)35(29,30)20-7-5-4-6-19(20)34(3,27)28/h4-7,12-14H,8-11H2,1-3H3,(H,23,24,26)