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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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