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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(phenylsulfonylamino)ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[2-(benzenesulfonamido)-1-(1,3-benzodioxol-5-yl)-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[2-(benzenesulfonamido)-1-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[2-(benzenesulfonamido)-1-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[2-(benzenesulfonamido)-1-(1,3-benzodioxol-5-yl)-2-keto-ethoxy]-3-propyl-benzoic acid Formula: C25H23NO8S MolecularWeight: 497.51702

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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=C4

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=C4

InChI

InChI=1S/C25H23NO8S/c1-2-6-16-13-18(25(28)29)10-11-20(16)34-23(17-9-12-21-22(14-17)33-15-32-21)24(27)26-35(30,31)19-7-4-3-5-8-19/h3-5,7-14,23H,2,6,15H2,1H3,(H,26,27)(H,28,29)