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

Systemtic Name: 2-[4-(2-dimethylaminoethylsulfamoyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(2-dimethylaminoethylsulfamoyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-(2-dimethylaminoethylsulfamoyl)-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(2-dimethylaminoethylsulfamoyl)-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(2-dimethylaminoethylsulfamoyl)-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O4S/c1-19-18-22(33(31,32)26-14-17-27(2)3)11-13-23(19)24(25(29)30)12-8-20-6-9-21(10-7-20)28-15-4-5-16-28/h6-7,9-11,13,18,24,26H,4-5,8,12,14-17H2,1-3H3,(H,29,30)