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

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-1-p-phenetylsulfonyl-isonipecotamide Formula: C21H24BrFN2O4S MolecularWeight: 499.393663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H24BrFN2O4S/c1-2-29-18-4-6-19(7-5-18)30(27,28)25-11-9-15(10-12-25)21(26)24-14-16-13-17(22)3-8-20(16)23/h3-8,13,15H,2,9-12,14H2,1H3,(H,24,26)