N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC)Cl

InChI

InChI=1S/C22H25ClN2O7S/c1-29-19-13-17(20(30-2)12-16(19)23)24-22(26)14-5-7-25(8-6-14)33(27,28)15-3-4-18-21(11-15)32-10-9-31-18/h3-4,11-14H,5-10H2,1-2H3,(H,24,26)