1-[(4-bromophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[(2-ethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-(2-ethoxybenzyl)isonipecotamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN2O4S/c1-2-29-21-6-4-3-5-19(21)15-24-22(26)18-11-13-25(14-12-18)30(27,28)16-17-7-9-20(23)10-8-17/h3-10,18H,2,11-16H2,1H3,(H,24,26)