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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methylquinolin-3-yl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methyl-3-quinolyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methyl-3-quinolinyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methylquinolin-3-yl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-[(2-methyl-3-quinolyl)sulfonylamino]ethoxy]-3-propyl-benzoic acid Formula: C29H26N2O8S MolecularWeight: 562.59034

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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=CC5=CC=CC=C5N=C4C

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)OC(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC5=CC=CC=C5N=C4C

InChI

InChI=1S/C29H26N2O8S/c1-3-6-19-13-21(29(33)34)10-11-23(19)39-27(20-9-12-24-25(14-20)38-16-37-24)28(32)31-40(35,36)26-15-18-7-4-5-8-22(18)30-17(26)2/h4-5,7-15,27H,3,6,16H2,1-2H3,(H,31,32)(H,33,34)