N-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-veratryl-isonipecotamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O5S/c1-28-20-9-8-18(14-21(20)29-2)15-23-22(25)19-10-12-24(13-11-19)30(26,27)16-17-6-4-3-5-7-17/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,23,25)