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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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