2-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]acetic acid Formula: C19H22N2O7S MolecularWeight: 422.45218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)OC

InChI

InChI=1S/C19H22N2O7S/c1-27-16-9-3-13(11-17(16)28-2)4-10-18(22)21-14-5-7-15(8-6-14)29(25,26)20-12-19(23)24/h3,5-9,11,20H,4,10,12H2,1-2H3,(H,21,22)(H,23,24)