N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C22H27ClN2O6S MolecularWeight: 482.97758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C22H27ClN2O6S/c1-4-31-16-5-7-17(8-6-16)32(27,28)25-11-9-15(10-12-25)22(26)24-19-13-18(23)20(29-2)14-21(19)30-3/h5-8,13-15H,4,9-12H2,1-3H3,(H,24,26)