1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)isonipecotamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(CC3)CC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCN(CC3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H32BrN3O4S/c1-33-24-10-9-22(34(31,32)29-13-3-2-4-14-29)17-23(24)27-25(30)20-11-15-28(16-12-20)18-19-5-7-21(26)8-6-19/h5-10,17,20H,2-4,11-16,18H2,1H3,(H,27,30)