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

Systemtic Name: 3-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[3-(3,4-dimethoxyphenyl)propanoylamino]phenyl]sulfonylamino]propionic acid Formula: C20H24N2O7S MolecularWeight: 436.47876

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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)NCCC(=O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7S/c1-28-17-9-3-14(13-18(17)29-2)4-10-19(23)22-15-5-7-16(8-6-15)30(26,27)21-12-11-20(24)25/h3,5-9,13,21H,4,10-12H2,1-2H3,(H,22,23)(H,24,25)