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

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-o-veratryl-nipecotamide Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N3O5S/c1-28-19-11-7-9-17(20(19)29-2)15-22-21(25)18-10-8-14-24(16-18)30(26,27)23-12-5-3-4-6-13-23/h7,9,11,18H,3-6,8,10,12-16H2,1-2H3,(H,22,25)