1-[(4-bromophenyl)methylsulfonyl]-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-(sec-butylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-[(butan-2-ylamino)-oxomethyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methylsulfonyl]-N-[2-(butan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)sulfonyl-N-[2-(sec-butylcarbamoyl)phenyl]isonipecotamide Formula: C24H30BrN3O4S MolecularWeight: 536.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H30BrN3O4S/c1-3-17(2)26-24(30)21-6-4-5-7-22(21)27-23(29)19-12-14-28(15-13-19)33(31,32)16-18-8-10-20(25)11-9-18/h4-11,17,19H,3,12-16H2,1-2H3,(H,26,30)(H,27,29)