1-[(3-bromophenyl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-(2-methoxy-5-piperidinosulfonyl-phenyl)nipecotamide 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)C3CCCN(C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CCCN(C3)CC4=CC(=CC=C4)Br

InChI

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