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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-ethoxyphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(4-ethoxybenzyl)isonipecotamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

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