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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H35N3O5S/c1-29-20-8-7-18(17-21(20)30-2)9-12-23-22(26)19-10-15-25(16-11-19)31(27,28)24-13-5-3-4-6-14-24/h7-8,17,19H,3-6,9-16H2,1-2H3,(H,23,26)