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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-pentan-2-yl-piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(1-methylbutyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-pentan-2-yl-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(1-methylbutyl)isonipecotamide Formula: C18H27BrN2O3S MolecularWeight: 431.38758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Br

Isomeric SMILES

CCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H27BrN2O3S/c1-3-5-14(2)20-18(22)16-8-10-21(11-9-16)25(23,24)13-15-6-4-7-17(19)12-15/h4,6-7,12,14,16H,3,5,8-11,13H2,1-2H3,(H,20,22)