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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-(o-tolylsulfonylamino)-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(o-tolylsulfonylamino)ethoxy]-3-propyl-benzoic acid Formula: C26H25NO8S MolecularWeight: 511.5436

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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=CC=C4C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=CC=C4C

InChI

InChI=1S/C26H25NO8S/c1-3-6-17-13-19(26(29)30)10-11-20(17)35-24(18-9-12-21-22(14-18)34-15-33-21)25(28)27-36(31,32)23-8-5-4-7-16(23)2/h4-5,7-14,24H,3,6,15H2,1-2H3,(H,27,28)(H,29,30)