1-(azepan-1-ylsulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]nipecotamide Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H35N3O5S/c1-29-20-10-9-18(21(16-20)30-2)11-12-23-22(26)19-8-7-15-25(17-19)31(27,28)24-13-5-3-4-6-14-24/h9-10,16,19H,3-8,11-15,17H2,1-2H3,(H,23,26)