2-(4-sulfamoylphenoxy)ethyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl (2S)-2-[(2-fluorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-fluorobenzoyl)amino]-3-methyl-butyric acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C20H23FN2O6S MolecularWeight: 438.469823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCOC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2F

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C20H23FN2O6S/c1-13(2)18(23-19(24)16-5-3-4-6-17(16)21)20(25)29-12-11-28-14-7-9-15(10-8-14)30(22,26)27/h3-10,13,18H,11-12H2,1-2H3,(H,23,24)(H2,22,26,27)/t18-/m0/s1