1-[(3-bromophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[4-(1-piperidylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-(4-piperidinosulfonylphenyl)nipecotamide Formula: C24H30BrN3O3S MolecularWeight: 520.4823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H30BrN3O3S/c25-21-8-4-6-19(16-21)17-27-13-5-7-20(18-27)24(29)26-22-9-11-23(12-10-22)32(30,31)28-14-2-1-3-15-28/h4,6,8-12,16,20H,1-3,5,7,13-15,17-18H2,(H,26,29)