4-bromanyl-N-[3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-N-methyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-N-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-N-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-N-methylbenzenesulfonamide Traditional Name: 4-bromo-N-[3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-N-methyl-benzenesulfonamide Formula: C18H22BrNO4S MolecularWeight: 428.34058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)O)C

InChI

InChI=1S/C18H22BrNO4S/c1-13-4-9-18(14(2)10-13)24-12-16(21)11-20(3)25(22,23)17-7-5-15(19)6-8-17/h4-10,16,21H,11-12H2,1-3H3