ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-fluoranyl-3-methyl-phenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[benzyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[(4-fluoro-3-methylphenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl-(4-fluoro-3-methylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[benzyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]methyl]benzoic acid ethyl ester Formula: C24H24FNO4S MolecularWeight: 441.515063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)C

InChI

InChI=1S/C24H24FNO4S/c1-3-30-24(27)21-11-9-20(10-12-21)17-26(16-19-7-5-4-6-8-19)31(28,29)22-13-14-23(25)18(2)15-22/h4-15H,3,16-17H2,1-2H3