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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(dimethylamino)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-[3-(dimethylamino)propyl]isonipecotamide Formula: C18H28BrN3O3S MolecularWeight: 446.40222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Br

Isomeric SMILES

CN(C)CCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H28BrN3O3S/c1-21(2)10-4-9-20-18(23)16-7-11-22(12-8-16)26(24,25)14-15-5-3-6-17(19)13-15/h3,5-6,13,16H,4,7-12,14H2,1-2H3,(H,20,23)