N-(5-chloranylpyridin-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-pyridyl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2-pyridinyl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloropyridin-2-yl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2-pyridyl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C19H22ClN3O5S MolecularWeight: 439.91308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H22ClN3O5S/c1-27-16-5-4-15(11-17(16)28-2)29(25,26)23-9-7-13(8-10-23)19(24)22-18-6-3-14(20)12-21-18/h3-6,11-13H,7-10H2,1-2H3,(H,21,22,24)