2-[4-[(3,5-dimethoxyphenyl)methylsulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[(3,5-dimethoxyphenyl)methylsulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[(3,5-dimethoxyphenyl)methylsulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[(3,5-dimethoxyphenyl)methylsulfamoyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[(3,5-dimethoxyphenyl)methylsulfamoyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[(3,5-dimethoxybenzyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C30H36N2O6S MolecularWeight: 552.68164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC(=CC(=C2)OC)OC)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCC2=CC(=CC(=C2)OC)OC)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C30H36N2O6S/c1-21-16-27(39(35,36)31-20-23-17-25(37-2)19-26(18-23)38-3)11-13-28(21)29(30(33)34)12-8-22-6-9-24(10-7-22)32-14-4-5-15-32/h6-7,9-11,13,16-19,29,31H,4-5,8,12,14-15,20H2,1-3H3,(H,33,34)