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

Systemtic Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propanoic acid Openeye Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)propanoic acid CAS Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[3-(1-pyrrolidinylsulfonyl)anilino]propanoic acid IUPAC Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)propanoic acid Traditional Name: 3-[4-(2,6-dimethoxyphenyl)phenyl]-2-(3-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(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

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

InChI

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