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

Systemtic Name: 3-[[2-(4-hexan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[4-(1-methylpentyl)phenoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-(4-hexan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(4-hexan-2-ylphenoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[2-[4-(1-methylpentyl)phenoxy]phenyl]sulfonylamino]butyric acid Formula: C22H27NO6S MolecularWeight: 433.51788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-3-4-7-16(2)17-10-12-19(13-11-17)29-20-8-5-6-9-21(20)30(27,28)23-18(15-24)14-22(25)26/h5-6,8-13,15-16,18,23H,3-4,7,14H2,1-2H3,(H,25,26)