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

Systemtic Name: 3-[[2-(2-naphthalen-1-ylethoxy)-4-pyrrolidin-1-yl-phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[2-(1-naphthyl)ethoxy]-4-pyrrolidin-1-yl-phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[2-(1-naphthalenyl)ethoxy]-4-(1-pyrrolidinyl)phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(2-naphthalen-1-ylethoxy)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[2-[2-(1-naphthyl)ethoxy]-4-pyrrolidino-phenyl]sulfonylamino]butyric acid Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)S(=O)(=O)NC(CC(=O)O)C=O)OCCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)S(=O)(=O)NC(CC(=O)O)C=O)OCCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H28N2O6S/c29-18-21(16-26(30)31)27-35(32,33)25-11-10-22(28-13-3-4-14-28)17-24(25)34-15-12-20-8-5-7-19-6-1-2-9-23(19)20/h1-2,5-11,17-18,21,27H,3-4,12-16H2,(H,30,31)