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

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

Click to see the large picture

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)C

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)C

InChI

InChI=1S/C26H25NO8S/c1-3-4-17-13-19(26(29)30)8-11-21(17)35-24(18-7-12-22-23(14-18)34-15-33-22)25(28)27-36(31,32)20-9-5-16(2)6-10-20/h5-14,24H,3-4,15H2,1-2H3,(H,27,28)(H,29,30)