2-[[4-[2-ethyl-2-(4-methoxyphenyl)butanoyl]oxyphenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-ethyl-2-(4-methoxyphenyl)butanoyl]oxyphenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[2-ethyl-2-(4-methoxyphenyl)butanoyl]oxyphenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[2-ethyl-2-(4-methoxyphenyl)-1-oxobutoxy]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[2-ethyl-2-(4-methoxyphenyl)butanoyl]oxyphenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[2-ethyl-2-(4-methoxyphenyl)butanoyl]oxyphenyl]sulfonylamino]acetic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)OC)C(=O)OC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)OC)C(=O)OC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C21H25NO7S/c1-4-21(5-2,15-6-8-16(28-3)9-7-15)20(25)29-17-10-12-18(13-11-17)30(26,27)22-14-19(23)24/h6-13,22H,4-5,14H2,1-3H3,(H,23,24)