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

Systemtic Name: 1-[(2-fluorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide Openeye Name: 1-[(2-fluorophenyl)methyl]-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(2-fluorophenyl)methyl]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: 1-(2-fluorobenzyl)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)nipecotamide Formula: C25H32FN3O4S MolecularWeight: 489.602683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)CC3=CC=CC=C3F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)CC3=CC=CC=C3F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H32FN3O4S/c1-33-23-12-11-21(16-24(23)34(31,32)29-14-5-2-6-15-29)27-25(30)20-9-7-13-28(18-20)17-19-8-3-4-10-22(19)26/h3-4,8,10-12,16,20H,2,5-7,9,13-15,17-18H2,1H3,(H,27,30)