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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-1-piperidin-1-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(1-piperidylsulfonyl)piperidine-3-carboxamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-1-(1-piperidinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-o-veratryl-1-piperidinosulfonyl-nipecotamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H31N3O5S/c1-27-18-10-6-8-16(19(18)28-2)14-21-20(24)17-9-7-13-23(15-17)29(25,26)22-11-4-3-5-12-22/h6,8,10,17H,3-5,7,9,11-15H2,1-2H3,(H,21,24)