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

Systemtic Name: 2-[2-methyl-4-(2-piperidin-1-ylethylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[2-methyl-4-[2-(1-piperidyl)ethylsulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[2-(1-piperidinyl)ethylsulfamoyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2-methyl-4-(2-piperidin-1-ylethylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-(2-piperidinoethylsulfamoyl)phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C28H39N3O4S MolecularWeight: 513.69196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCN2CCCCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCN2CCCCC2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C28H39N3O4S/c1-22-21-25(36(34,35)29-15-20-30-16-3-2-4-17-30)12-14-26(22)27(28(32)33)13-9-23-7-10-24(11-8-23)31-18-5-6-19-31/h7-8,10-12,14,21,27,29H,2-6,9,13,15-20H2,1H3,(H,32,33)