1-[(3-bromophenyl)methylsulfonyl]-N-(2-ethyl-6-methyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-ethyl-6-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-ethyl-6-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-ethyl-6-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(2-ethyl-6-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(2-ethyl-6-methyl-phenyl)isonipecotamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C22H27BrN2O3S/c1-3-18-8-4-6-16(2)21(18)24-22(26)19-10-12-25(13-11-19)29(27,28)15-17-7-5-9-20(23)14-17/h4-9,14,19H,3,10-13,15H2,1-2H3,(H,24,26)