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

Systemtic Name: 3-[[2-(2-naphthalen-1-ylethoxy)-4-(propanoylamino)phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-(1-naphthyl)ethoxy]-4-(propanoylamino)phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[2-(1-naphthalenyl)ethoxy]-4-(1-oxopropylamino)phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(2-naphthalen-1-ylethoxy)-4-(propanoylamino)phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[2-[2-(1-naphthyl)ethoxy]-4-propionamido-phenyl]sulfonylamino]butyric acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H26N2O7S/c1-2-24(29)26-19-10-11-23(35(32,33)27-20(16-28)15-25(30)31)22(14-19)34-13-12-18-8-5-7-17-6-3-4-9-21(17)18/h3-11,14,16,20,27H,2,12-13,15H2,1H3,(H,26,29)(H,30,31)