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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethoxyphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethoxyphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethoxyphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-ethoxyphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(p-phenetylsulfonylamino)ethoxy]-3-propyl-benzoic acid Formula: C27H27NO9S MolecularWeight: 541.56958

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)OCC

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)OCC

InChI

InChI=1S/C27H27NO9S/c1-3-5-17-14-19(27(30)31)7-12-22(17)37-25(18-6-13-23-24(15-18)36-16-35-23)26(29)28-38(32,33)21-10-8-20(9-11-21)34-4-2/h6-15,25H,3-5,16H2,1-2H3,(H,28,29)(H,30,31)