2-[4-[carboxy(methyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[carboxy(methyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[carboxy(methyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[carboxy(methyl)sulfamoyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[carboxy(methyl)sulfamoyl]-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[carboxy(methyl)sulfamoyl]-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(C)C(=O)O)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(C)C(=O)O)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C23H28N2O6S/c1-16-15-19(32(30,31)24(2)23(28)29)10-12-20(16)21(22(26)27)11-7-17-5-8-18(9-6-17)25-13-3-4-14-25/h5-6,8-10,12,15,21H,3-4,7,11,13-14H2,1-2H3,(H,26,27)(H,28,29)