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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c1-3-29-17-6-9-19-20(14-17)30-22(23-19)24-21(26)16-10-12-25(13-11-16)31(27,28)18-7-4-15(2)5-8-18/h4-9,14,16H,3,10-13H2,1-2H3,(H,23,24,26)