3-methoxy-2-oxidanyl-5-[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]sulfonyl-benzoic acid

Systemtic Name: 3-methoxy-2-oxidanyl-5-[4-[2-[[(2R)-2-oxidanyl-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]sulfonyl-benzoic acid Openeye Name: 2-hydroxy-5-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]sulfonyl-3-methoxy-benzoic acid CAS Name: 2-hydroxy-5-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridinyl)ethyl]amino]ethyl]phenyl]sulfonyl-3-methoxybenzoic acid IUPAC Name: 2-hydroxy-5-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfonyl-3-methoxybenzoic acid Traditional Name: 2-hydroxy-5-[4-[2-[[(2R)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]sulfonyl-3-methoxy-benzoic acid Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)CCNCC(C3=CN=CC=C3)O)C(=O)O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)S(=O)(=O)C2=CC=C(C=C2)CCNC[C@@H](C3=CN=CC=C3)O)C(=O)O)O

InChI

InChI=1S/C23H24N2O7S/c1-32-21-12-18(11-19(22(21)27)23(28)29)33(30,31)17-6-4-15(5-7-17)8-10-25-14-20(26)16-3-2-9-24-13-16/h2-7,9,11-13,20,25-27H,8,10,14H2,1H3,(H,28,29)/t20-/m0/s1