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

Systemtic Name: 2-[4-[hydroxymethyl(2-methylpropyl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[hydroxymethyl(isobutyl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[hydroxymethyl(2-methylpropyl)sulfamoyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[hydroxymethyl(2-methylpropyl)sulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[isobutyl(methylol)sulfamoyl]phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CO)S(=O)(=O)C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

Isomeric SMILES

CC(C)CN(CO)S(=O)(=O)C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)N3CCCC3)C(=O)O

InChI

InChI=1S/C25H34N2O5S/c1-19(2)17-27(18-28)33(31,32)23-12-8-21(9-13-23)24(25(29)30)14-7-20-5-10-22(11-6-20)26-15-3-4-16-26/h5-6,8-13,19,24,28H,3-4,7,14-18H2,1-2H3,(H,29,30)