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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-dimethylaminophenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-dimethylaminophenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-dimethylaminophenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-dimethylaminophenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(4-dimethylaminophenyl)sulfonylamino]-2-keto-ethoxy]-3-propyl-benzoic acid Formula: C27H28N2O8S MolecularWeight: 540.58482

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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)N(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)N(C)C

InChI

InChI=1S/C27H28N2O8S/c1-4-5-17-14-19(27(31)32)7-12-22(17)37-25(18-6-13-23-24(15-18)36-16-35-23)26(30)28-38(33,34)21-10-8-20(9-11-21)29(2)3/h6-15,25H,4-5,16H2,1-3H3,(H,28,30)(H,31,32)