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

Systemtic Name: 2-[4-(2-pyridin-2-ylethylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[2-(2-pyridyl)ethylsulfamoyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[2-(2-pyridinyl)ethylsulfamoyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(2-pyridin-2-ylethylsulfamoyl)phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[2-(2-pyridyl)ethylsulfamoyl]phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=N4)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C27H31N3O4S/c31-27(32)26(15-8-21-6-11-24(12-7-21)30-19-3-4-20-30)22-9-13-25(14-10-22)35(33,34)29-18-16-23-5-1-2-17-28-23/h1-2,5-7,9-14,17,26,29H,3-4,8,15-16,18-20H2,(H,31,32)