(2R)-2-[[2-(4-butan-2-yl-3-methyl-phenoxy)phenyl]sulfonylamino]-3-oxidanylidene-propanoic acid

Systemtic Name: (2R)-2-[[2-(4-butan-2-yl-3-methyl-phenoxy)phenyl]sulfonylamino]-3-oxidanylidene-propanoic acid Openeye Name: (2R)-2-[[2-(3-methyl-4-sec-butyl-phenoxy)phenyl]sulfonylamino]-3-oxo-propanoic acid CAS Name: (2R)-2-[[2-(4-butan-2-yl-3-methylphenoxy)phenyl]sulfonylamino]-3-oxopropanoic acid IUPAC Name: (2R)-2-[[2-(4-butan-2-yl-3-methylphenoxy)phenyl]sulfonylamino]-3-oxopropanoic acid Traditional Name: (2R)-3-keto-2-[[2-(3-methyl-4-sec-butyl-phenoxy)phenyl]sulfonylamino]propionic acid Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S/c1-4-13(2)16-10-9-15(11-14(16)3)27-18-7-5-6-8-19(18)28(25,26)21-17(12-22)20(23)24/h5-13,17,21H,4H2,1-3H3,(H,23,24)/t13?,17-/m1/s1