2-[2-methyl-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[2-methyl-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[2-methyl-4-(3-morpholinopropylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[3-(4-morpholinyl)propylsulfamoyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2-methyl-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-(3-morpholinopropylsulfamoyl)phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C28H39N3O5S MolecularWeight: 529.69136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCCN2CCOCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCCN2CCOCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C28H39N3O5S/c1-22-21-25(37(34,35)29-13-4-14-30-17-19-36-20-18-30)10-12-26(22)27(28(32)33)11-7-23-5-8-24(9-6-23)31-15-2-3-16-31/h5-6,8-10,12,21,27,29H,2-4,7,11,13-20H2,1H3,(H,32,33)