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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-[3-(1-pyrrolidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(3-pyrrolidinopropyl)isonipecotamide Formula: C20H30BrN3O3S MolecularWeight: 472.4395

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H30BrN3O3S/c21-19-6-3-5-17(15-19)16-28(26,27)24-13-7-18(8-14-24)20(25)22-9-4-12-23-10-1-2-11-23/h3,5-6,15,18H,1-2,4,7-14,16H2,(H,22,25)