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

Systemtic Name: 2-[2-methyl-4-(oxidanylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(hydroxysulfamoyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-(hydroxysulfamoyl)-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(hydroxysulfamoyl)-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(hydroxysulfamoyl)-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NO)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NO)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C21H26N2O5S/c1-15-14-18(29(27,28)22-26)9-11-19(15)20(21(24)25)10-6-16-4-7-17(8-5-16)23-12-2-3-13-23/h4-5,7-9,11,14,20,22,26H,2-3,6,10,12-13H2,1H3,(H,24,25)