1-[(3-bromophenyl)methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-(2-methoxy-5-morpholinosulfonyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-(2-methoxy-5-morpholinosulfonyl-phenyl)isonipecotamide Formula: C24H30BrN3O5S MolecularWeight: 552.4811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H30BrN3O5S/c1-32-23-6-5-21(34(30,31)28-11-13-33-14-12-28)16-22(23)26-24(29)19-7-9-27(10-8-19)17-18-3-2-4-20(25)15-18/h2-6,15-16,19H,7-14,17H2,1H3,(H,26,29)