ethyl (2S)-2-[5-[(4-acetamidophenyl)sulfonylamino]-2-oxidanyl-phenyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2S)-2-[5-[(4-acetamidophenyl)sulfonylamino]-2-oxidanyl-phenyl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-[5-[(4-acetamidophenyl)sulfonylamino]-2-hydroxy-phenyl]-3-oxo-butanoate CAS Name: (2S)-2-[5-[(4-acetamidophenyl)sulfonylamino]-2-hydroxyphenyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[5-[(4-acetamidophenyl)sulfonylamino]-2-hydroxyphenyl]-3-oxobutanoate Traditional Name: (2S)-2-[5-[(4-acetamidophenyl)sulfonylamino]-2-hydroxy-phenyl]-3-keto-butyric acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)O)C(=O)C

Isomeric SMILES

CCOC(=O)[C@@H](C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)O)C(=O)C

InChI

InChI=1S/C20H22N2O7S/c1-4-29-20(26)19(12(2)23)17-11-15(7-10-18(17)25)22-30(27,28)16-8-5-14(6-9-16)21-13(3)24/h5-11,19,22,25H,4H2,1-3H3,(H,21,24)/t19-/m1/s1