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

Systemtic Name: 2-methyl-4-[4-(3-oxidanyl-5-pyridin-3-yl-pentan-2-yl)oxyphenyl]benzenesulfonamide Openeye Name: 4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]-2-methyl-benzenesulfonamide CAS Name: 4-[4-[3-hydroxy-5-(3-pyridinyl)pentan-2-yl]oxyphenyl]-2-methylbenzenesulfonamide IUPAC Name: 4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-2-methylbenzenesulfonamide Traditional Name: 4-[4-[2-hydroxy-1-methyl-4-(3-pyridyl)butoxy]phenyl]-2-methyl-benzenesulfonamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-16-14-20(8-12-23(16)30(24,27)28)19-6-9-21(10-7-19)29-17(2)22(26)11-5-18-4-3-13-25-15-18/h3-4,6-10,12-15,17,22,26H,5,11H2,1-2H3,(H2,24,27,28)