(2R)-2-[[2-(4-butan-2-ylphenoxy)phenyl]sulfonylamino]-3-oxidanylidene-propanoic acid

Systemtic Name: (2R)-2-[[2-(4-butan-2-ylphenoxy)phenyl]sulfonylamino]-3-oxidanylidene-propanoic acid Openeye Name: (2R)-3-oxo-2-[[2-(4-sec-butylphenoxy)phenyl]sulfonylamino]propanoic acid CAS Name: (2R)-2-[[2-(4-butan-2-ylphenoxy)phenyl]sulfonylamino]-3-oxopropanoic acid IUPAC Name: (2R)-2-[[2-(4-butan-2-ylphenoxy)phenyl]sulfonylamino]-3-oxopropanoic acid Traditional Name: (2R)-3-keto-2-[[2-(4-sec-butylphenoxy)phenyl]sulfonylamino]propionic acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC2=CC=CC=C2S(=O)(=O)NC(C=O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OC2=CC=CC=C2S(=O)(=O)N[C@H](C=O)C(=O)O

InChI

InChI=1S/C19H21NO6S/c1-3-13(2)14-8-10-15(11-9-14)26-17-6-4-5-7-18(17)27(24,25)20-16(12-21)19(22)23/h4-13,16,20H,3H2,1-2H3,(H,22,23)/t13?,16-/m1/s1