4-[2-(1,3-benzodioxol-5-yl)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]oxy-3-propyl-benzoic acid

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]oxy-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-isopropylphenyl)sulfonylamino]-1-methyl-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-1-oxo-1-[(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]oxy-3-propylbenzoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-1-oxo-1-[(4-propan-2-ylphenyl)sulfonylamino]propan-2-yl]oxy-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-keto-1-methyl-2-(p-cumenylsulfonylamino)ethoxy]-3-propyl-benzoic acid Formula: C29H31NO8S MolecularWeight: 553.62334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO8S/c1-5-6-20-15-21(27(31)32)9-13-24(20)38-29(4,22-10-14-25-26(16-22)37-17-36-25)28(33)30-39(34,35)23-11-7-19(8-12-23)18(2)3/h7-16,18H,5-6,17H2,1-4H3,(H,30,33)(H,31,32)