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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-[(4-phenylphenyl)sulfonylamino]ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-phenylphenyl)sulfonylamino]ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-phenylphenyl)sulfonylamino]ethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-[(4-phenylphenyl)sulfonylamino]ethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-2-[(4-phenylphenyl)sulfonylamino]ethoxy]-3-propyl-benzoic acid Formula: C31H27NO8S MolecularWeight: 573.61298

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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=C(C=C4)C5=CC=CC=C5

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)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO8S/c1-2-6-22-17-24(31(34)35)12-15-26(22)40-29(23-11-16-27-28(18-23)39-19-38-27)30(33)32-41(36,37)25-13-9-21(10-14-25)20-7-4-3-5-8-20/h3-5,7-18,29H,2,6,19H2,1H3,(H,32,33)(H,34,35)