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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)sulfonylamino]-2-keto-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(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

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)C(C)(C)C

InChI

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