4-[1-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[1-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[1-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]amino]ethyl]benzenesulfonamide CAS Name: 4-[1-[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[1-[[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[1-[[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]amino]ethyl]benzenesulfonamide Formula: C22H32N2O4S MolecularWeight: 420.56548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNC(C)C2=CC=C(C=C2)S(=O)(=O)N)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNC(C)C2=CC=C(C=C2)S(=O)(=O)N)O

InChI

InChI=1S/C22H32N2O4S/c1-15-12-18(22(3,4)5)8-11-21(15)28-14-19(25)13-24-16(2)17-6-9-20(10-7-17)29(23,26)27/h6-12,16,19,24-25H,13-14H2,1-5H3,(H2,23,26,27)