3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propanoic acid

Systemtic Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propanoic acid Openeye Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)propanoic acid CAS Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[4-(1-pyrrolidinylsulfonyl)anilino]propanoic acid IUPAC Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)propanoic acid Traditional Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(4-pyrrolidinosulfonylanilino)propionic acid Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C27H30N2O6S/c1-34-24-6-5-7-25(35-2)26(24)20-10-8-19(9-11-20)18-23(27(30)31)28-21-12-14-22(15-13-21)36(32,33)29-16-3-4-17-29/h5-15,23,28H,3-4,16-18H2,1-2H3,(H,30,31)