1-[(3-bromophenyl)methylsulfonyl]-N-(5-chloranyl-2-methoxy-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(5-chloranyl-2-methoxy-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(5-chloro-2-methoxy-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(5-chloro-2-methoxyphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methylsulfonyl]-N-(5-chloro-2-methoxyphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)sulfonyl-N-(5-chloro-2-methoxy-phenyl)isonipecotamide Formula: C20H22BrClN2O4S MolecularWeight: 501.82168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrClN2O4S/c1-28-19-6-5-17(22)12-18(19)23-20(25)15-7-9-24(10-8-15)29(26,27)13-14-3-2-4-16(21)11-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,23,25)