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

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxycarbonylphenyl)sulfonylamino]-2-oxidanylidene-ethoxy]-3-propyl-benzoic acid Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxycarbonylphenyl)sulfonylamino]-2-oxo-ethoxy]-3-propyl-benzoic acid CAS Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxycarbonylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-methoxycarbonylphenyl)sulfonylamino]-2-oxoethoxy]-3-propylbenzoic acid Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-[(2-carbomethoxyphenyl)sulfonylamino]-2-keto-ethoxy]-3-propyl-benzoic acid Formula: C27H25NO10S MolecularWeight: 555.5531

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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=CC=C4C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO10S/c1-3-6-16-13-18(26(30)31)10-11-20(16)38-24(17-9-12-21-22(14-17)37-15-36-21)25(29)28-39(33,34)23-8-5-4-7-19(23)27(32)35-2/h4-5,7-14,24H,3,6,15H2,1-2H3,(H,28,29)(H,30,31)