N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C22H27ClN2O5S/c1-29-20-7-6-19(15-21(20)30-2)31(27,28)25-12-9-17(10-13-25)22(26)24-11-8-16-4-3-5-18(23)14-16/h3-7,14-15,17H,8-13H2,1-2H3,(H,24,26)