1-[(3-bromophenyl)methylsulfonyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-[oxo(propylamino)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]isonipecotamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H28BrN3O4S/c1-2-12-25-23(29)20-8-3-4-9-21(20)26-22(28)18-10-13-27(14-11-18)32(30,31)16-17-6-5-7-19(24)15-17/h3-9,15,18H,2,10-14,16H2,1H3,(H,25,29)(H,26,28)