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

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-phenylmethoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide Traditional Name: N-(4-benzoxyphenyl)-1-(3-bromobenzyl)sulfonyl-isonipecotamide Formula: C26H27BrN2O4S MolecularWeight: 543.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)S(=O)(=O)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C26H27BrN2O4S/c27-23-8-4-7-21(17-23)19-34(31,32)29-15-13-22(14-16-29)26(30)28-24-9-11-25(12-10-24)33-18-20-5-2-1-3-6-20/h1-12,17,22H,13-16,18-19H2,(H,28,30)