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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-[(4-methoxyphenyl)sulfonylamino]ethoxy]-3-propyl-benzoic acid Formula: C26H25NO9S MolecularWeight: 527.543

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO9S/c1-3-4-16-13-18(26(29)30)6-11-21(16)36-24(17-5-12-22-23(14-17)35-15-34-22)25(28)27-37(31,32)20-9-7-19(33-2)8-10-20/h5-14,24H,3-4,15H2,1-2H3,(H,27,28)(H,29,30)