N-[[2-[(2-bromanylcyclohexen-1-yl)methoxy]phenyl]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[2-[(2-bromanylcyclohexen-1-yl)methoxy]phenyl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[2-[(2-bromocyclohexen-1-yl)methoxy]phenyl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[2-[(2-bromo-1-cyclohexenyl)methoxy]phenyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[2-[(2-bromocyclohexen-1-yl)methoxy]phenyl]methyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[(2-bromocyclohexen-1-yl)methoxy]benzyl]-4-methyl-benzenesulfonamide Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2OCC3=C(CCCC3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2OCC3=C(CCCC3)Br

InChI

InChI=1S/C21H24BrNO3S/c1-16-10-12-19(13-11-16)27(24,25)23-14-17-6-3-5-9-21(17)26-15-18-7-2-4-8-20(18)22/h3,5-6,9-13,23H,2,4,7-8,14-15H2,1H3