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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-carboxyphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-carboxyphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-carboxyphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-carboxyphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-carboxyphenyl)sulfonylamino]-2-keto-ethoxy]-3-propyl-benzoic acid Formula: C26H23NO10S MolecularWeight: 541.52652

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=CC=C4C(=O)O

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(=O)O

InChI

InChI=1S/C26H23NO10S/c1-2-5-15-12-17(25(29)30)9-10-19(15)37-23(16-8-11-20-21(13-16)36-14-35-20)24(28)27-38(33,34)22-7-4-3-6-18(22)26(31)32/h3-4,6-13,23H,2,5,14H2,1H3,(H,27,28)(H,29,30)(H,31,32)