N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-(4-fluorophenyl)sulfonyl-piperidine-2-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-(4-fluorophenyl)sulfonyl-pipecolinamide Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22BrFN2O4S/c1-28-19-10-5-15(21)12-14(19)13-23-20(25)18-4-2-3-11-24(18)29(26,27)17-8-6-16(22)7-9-17/h5-10,12,18H,2-4,11,13H2,1H3,(H,23,25)