1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-(5-chloro-2-ethoxy-phenyl)sulfonyl-N-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(5-chloro-2-ethoxy-phenyl)sulfonyl-N-(3-pyridylmethyl)isonipecotamide Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H24ClN3O4S/c1-2-28-18-6-5-17(21)12-19(18)29(26,27)24-10-7-16(8-11-24)20(25)23-14-15-4-3-9-22-13-15/h3-6,9,12-13,16H,2,7-8,10-11,14H2,1H3,(H,23,25)