4-oxidanylidene-2-[[2-(4-pentan-3-ylphenoxy)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-2-[[2-(4-pentan-3-ylphenoxy)phenyl]sulfonylamino]butanoic acid Openeye Name: 2-[[2-[4-(1-ethylpropyl)phenoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 4-oxo-2-[[2-(4-pentan-3-ylphenoxy)phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-oxo-2-[[2-(4-pentan-3-ylphenoxy)phenyl]sulfonylamino]butanoic acid Traditional Name: 2-[[2-[4-(1-ethylpropyl)phenoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-3-15(4-2)16-9-11-17(12-10-16)28-19-7-5-6-8-20(19)29(26,27)22-18(13-14-23)21(24)25/h5-12,14-15,18,22H,3-4,13H2,1-2H3,(H,24,25)