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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[4-(2-ketopyrrolidino)phenyl]isonipecotamide Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H26BrN3O4S/c24-19-4-1-3-17(15-19)16-32(30,31)26-13-10-18(11-14-26)23(29)25-20-6-8-21(9-7-20)27-12-2-5-22(27)28/h1,3-4,6-9,15,18H,2,5,10-14,16H2,(H,25,29)