4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-oxidanylidene-1H-pyridin-3-yl)sulfonylamino]ethoxy]-3-propyl-benzoic acid

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-oxidanylidene-1H-pyridin-3-yl)sulfonylamino]ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-oxo-1H-pyridin-3-yl)sulfonylamino]ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-oxo-1H-pyridin-3-yl)sulfonylamino]ethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-oxo-1H-pyridin-3-yl)sulfonylamino]ethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-[(4-keto-1H-pyridin-3-yl)sulfonylamino]ethoxy]-3-propyl-benzoic acid Formula: C24H22N2O9S MolecularWeight: 514.50448

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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=CNC=CC4=O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CNC=CC4=O

InChI

InChI=1S/C24H22N2O9S/c1-2-3-14-10-16(24(29)30)5-6-18(14)35-22(15-4-7-19-20(11-15)34-13-33-19)23(28)26-36(31,32)21-12-25-9-8-17(21)27/h4-12,22H,2-3,13H2,1H3,(H,25,27)(H,26,28)(H,29,30)