3-[[4-(2-methylpropoxy)-2-(2-naphthalen-1-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-(2-methylpropoxy)-2-(2-naphthalen-1-ylethoxy)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-isobutoxy-2-[2-(1-naphthyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-(2-methylpropoxy)-2-[2-(1-naphthalenyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-(2-methylpropoxy)-2-(2-naphthalen-1-ylethoxy)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-isobutoxy-2-[2-(1-naphthyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C26H29NO7S MolecularWeight: 499.57596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)COC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H29NO7S/c1-18(2)17-34-22-10-11-25(35(31,32)27-21(16-28)14-26(29)30)24(15-22)33-13-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-11,15-16,18,21,27H,12-14,17H2,1-2H3,(H,29,30)