methyl 4-[[(2-fluorophenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-fluorophenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoate Openeye Name: methyl 4-[[benzyl-(2-fluorophenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[(2-fluorophenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[benzyl-(2-fluorophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[benzyl-(2-fluorophenyl)sulfonyl-amino]methyl]benzoic acid methyl ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H20FNO4S/c1-28-22(25)19-13-11-18(12-14-19)16-24(15-17-7-3-2-4-8-17)29(26,27)21-10-6-5-9-20(21)23/h2-14H,15-16H2,1H3