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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-cyclooctyl-piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-cyclooctyl-piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-cyclooctyl-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-cyclooctylpiperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-cyclooctyl-isonipecotamide Formula: C21H31BrN2O3S MolecularWeight: 471.45144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H31BrN2O3S/c22-19-8-6-7-17(15-19)16-28(26,27)24-13-11-18(12-14-24)21(25)23-20-9-4-2-1-3-5-10-20/h6-8,15,18,20H,1-5,9-14,16H2,(H,23,25)