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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-mesylphenyl)sulfonyl-isonipecotamide Formula: C22H25N3O6S3 MolecularWeight: 523.6454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C22H25N3O6S3/c1-3-31-16-8-9-17-18(14-16)32-22(23-17)24-21(26)15-10-12-25(13-11-15)34(29,30)20-7-5-4-6-19(20)33(2,27)28/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,24,26)