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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(pyridin-3-ylsulfonylamino)ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(3-pyridylsulfonylamino)ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(3-pyridinylsulfonylamino)ethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(pyridin-3-ylsulfonylamino)ethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(3-pyridylsulfonylamino)ethoxy]-3-propyl-benzoic acid Formula: C24H22N2O8S MolecularWeight: 498.50508

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O8S/c1-2-4-15-11-17(24(28)29)7-8-19(15)34-22(16-6-9-20-21(12-16)33-14-32-20)23(27)26-35(30,31)18-5-3-10-25-13-18/h3,5-13,22H,2,4,14H2,1H3,(H,26,27)(H,28,29)