4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(quinolin-8-ylsulfonylamino)ethoxy]-3-propyl-benzoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(quinolin-8-ylsulfonylamino)ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(8-quinolylsulfonylamino)ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(8-quinolinylsulfonylamino)ethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(quinolin-8-ylsulfonylamino)ethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(8-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=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

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