4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(quinolin-3-ylsulfonylamino)ethoxy]-3-propyl-benzoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(quinolin-3-ylsulfonylamino)ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(3-quinolylsulfonylamino)ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(3-quinolinylsulfonylamino)ethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(quinolin-3-ylsulfonylamino)ethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(3-quinolylsulfonylamino)ethoxy]-3-propyl-benzoic acid Formula: C28H24N2O8S MolecularWeight: 548.56376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H24N2O8S/c1-2-5-18-12-20(28(32)33)9-10-23(18)38-26(19-8-11-24-25(14-19)37-16-36-24)27(31)30-39(34,35)21-13-17-6-3-4-7-22(17)29-15-21/h3-4,6-15,26H,2,5,16H2,1H3,(H,30,31)(H,32,33)