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

Systemtic Name: 2-[4-[2-methylbutyl(phenyl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[2-methylbutyl(phenyl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[2-methylbutyl(phenyl)sulfamoyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[2-methylbutyl(phenyl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[2-methylbutyl(phenyl)sulfamoyl]phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C31H38N2O4S MolecularWeight: 534.70942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CCC(C)CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C31H38N2O4S/c1-3-24(2)23-33(28-9-5-4-6-10-28)38(36,37)29-18-14-26(15-19-29)30(31(34)35)20-13-25-11-16-27(17-12-25)32-21-7-8-22-32/h4-6,9-12,14-19,24,30H,3,7-8,13,20-23H2,1-2H3,(H,34,35)