2-(4-sulfamoylphenoxy)ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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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)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCOC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O7S/c1-15(2)19(23-21(25)30-14-16-6-4-3-5-7-16)20(24)29-13-12-28-17-8-10-18(11-9-17)31(22,26)27/h3-11,15,19H,12-14H2,1-2H3,(H,23,25)(H2,22,26,27)/t19-/m0/s1