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

Systemtic Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-(homoveratroylamino)phenyl]sulfonylamino]acetic acid Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O7S/c1-26-15-8-3-12(9-16(15)27-2)10-17(21)20-13-4-6-14(7-5-13)28(24,25)19-11-18(22)23/h3-9,19H,10-11H2,1-2H3,(H,20,21)(H,22,23)