2-methyl-4-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenesulfonic acid

Systemtic Name: 2-methyl-4-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenesulfonic acid Openeye Name: 4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]-2-methyl-benzenesulfonic acid CAS Name: 4-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]-2-methylbenzenesulfonic acid IUPAC Name: 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-2-methylbenzenesulfonic acid Traditional Name: 4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]-2-methyl-besylic acid Formula: C23H25NO5S MolecularWeight: 427.5133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(C=C2)OC(C)C(CCC3=CN=CC=C3)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(C=C2)OC(C)C(CCC3=CN=CC=C3)O)S(=O)(=O)O

InChI

InChI=1S/C23H25NO5S/c1-16-14-20(8-12-23(16)30(26,27)28)19-6-9-21(10-7-19)29-17(2)22(25)11-5-18-4-3-13-24-15-18/h3-4,6-10,12-15,17,22,25H,5,11H2,1-2H3,(H,26,27,28)