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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylsulfanylpyridin-3-yl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylsulfanyl-3-pyridyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[[4-(ethylthio)-3-pyridinyl]sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethylsulfanylpyridin-3-yl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[[4-(ethylthio)-3-pyridyl]sulfonylamino]-2-keto-ethoxy]-3-propyl-benzoic acid Formula: C26H26N2O8S2 MolecularWeight: 558.62324

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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=C(C=CN=C4)SCC

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O8S2/c1-3-5-16-12-18(26(30)31)7-8-19(16)36-24(17-6-9-20-21(13-17)35-15-34-20)25(29)28-38(32,33)23-14-27-11-10-22(23)37-4-2/h6-14,24H,3-5,15H2,1-2H3,(H,28,29)(H,30,31)