2-[4-[1-[(2-chlorophenyl)sulfonylamino]-5-pyridin-3-yl-pentan-2-yl]phenyl]propanoic acid

Systemtic Name: 2-[4-[1-[(2-chlorophenyl)sulfonylamino]-5-pyridin-3-yl-pentan-2-yl]phenyl]propanoic acid Openeye Name: 2-[4-[1-[[(2-chlorophenyl)sulfonylamino]methyl]-4-(3-pyridyl)butyl]phenyl]propanoic acid CAS Name: 2-[4-[1-[(2-chlorophenyl)sulfonylamino]-5-(3-pyridinyl)pentan-2-yl]phenyl]propanoic acid IUPAC Name: 2-[4-[1-[(2-chlorophenyl)sulfonylamino]-5-pyridin-3-ylpentan-2-yl]phenyl]propanoic acid Traditional Name: 2-[4-[1-[[(2-chlorophenyl)sulfonylamino]methyl]-4-(3-pyridyl)butyl]phenyl]propionic acid Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(CCCC2=CN=CC=C2)CNS(=O)(=O)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C(CCCC2=CN=CC=C2)CNS(=O)(=O)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C25H27ClN2O4S/c1-18(25(29)30)20-11-13-21(14-12-20)22(8-4-6-19-7-5-15-27-16-19)17-28-33(31,32)24-10-3-2-9-23(24)26/h2-3,5,7,9-16,18,22,28H,4,6,8,17H2,1H3,(H,29,30)