1-[(3-bromophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)isonipecotamide Formula: C25H32BrN3O4S MolecularWeight: 550.50828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)Br)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC3=CC(=CC=C3)Br)S(=O)(=O)N4CCCCC4

InChI

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