1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)nipecotamide Formula: C25H31ClFN3O4S MolecularWeight: 524.047743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)CC3=C(C=CC=C3Cl)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)CC3=C(C=CC=C3Cl)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31ClFN3O4S/c1-34-23-11-10-19(15-24(23)35(32,33)30-13-3-2-4-14-30)28-25(31)18-7-6-12-29(16-18)17-20-21(26)8-5-9-22(20)27/h5,8-11,15,18H,2-4,6-7,12-14,16-17H2,1H3,(H,28,31)