1-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-(3,4-dimethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(3,4-dimethoxyphenyl)nipecotamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-27-18-10-9-17(14-19(18)28-2)21-20(24)16-8-7-13-23(15-16)29(25,26)22-11-5-3-4-6-12-22/h9-10,14,16H,3-8,11-13,15H2,1-2H3,(H,21,24)