N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C22H27ClN2O5S/c1-15-5-4-6-16(11-15)14-31(27,28)25-9-7-17(8-10-25)22(26)24-19-13-20(29-2)18(23)12-21(19)30-3/h4-6,11-13,17H,7-10,14H2,1-3H3,(H,24,26)