1-[(3-bromophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[1-(4-mesylphenyl)ethyl]nipecotamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CCCN(C2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-16(18-8-10-21(11-9-18)29(2,27)28)24-22(26)19-6-4-12-25(15-19)14-17-5-3-7-20(23)13-17/h3,5,7-11,13,16,19H,4,6,12,14-15H2,1-2H3,(H,24,26)