1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-veratryl-isonipecotamide Formula: C22H27BrN2O5S MolecularWeight: 511.42918

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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)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O5S/c1-29-20-7-6-16(13-21(20)30-2)14-24-22(26)18-8-10-25(11-9-18)31(27,28)15-17-4-3-5-19(23)12-17/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H,24,26)