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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-pentyl-piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-pentyl-piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-pentyl-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-pentylpiperidine-4-carboxamide Traditional Name: N-amyl-1-(3-bromobenzyl)sulfonyl-isonipecotamide Formula: C18H27BrN2O3S MolecularWeight: 431.38758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H27BrN2O3S/c1-2-3-4-10-20-18(22)16-8-11-21(12-9-16)25(23,24)14-15-6-5-7-17(19)13-15/h5-7,13,16H,2-4,8-12,14H2,1H3,(H,20,22)