N-[(E)-4-bromanyl-3-(4-methylphenyl)sulfonyl-but-2-enyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(E)-4-bromanyl-3-(4-methylphenyl)sulfonyl-but-2-enyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(E)-4-bromo-3-(p-tolylsulfonyl)but-2-enyl]-4-methyl-benzenesulfonamide CAS Name: N-[(E)-4-bromo-3-(4-methylphenyl)sulfonylbut-2-enyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(E)-4-bromo-3-(4-methylphenyl)sulfonylbut-2-enyl]-4-methylbenzenesulfonamide Traditional Name: N-[(E)-4-bromo-3-tosyl-but-2-enyl]-4-methyl-benzenesulfonamide Formula: C18H20BrNO4S2 MolecularWeight: 458.3897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CCNS(=O)(=O)C2=CC=C(C=C2)C)CBr

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/CNS(=O)(=O)C2=CC=C(C=C2)C)/CBr

InChI

InChI=1S/C18H20BrNO4S2/c1-14-3-7-16(8-4-14)25(21,22)18(13-19)11-12-20-26(23,24)17-9-5-15(2)6-10-17/h3-11,20H,12-13H2,1-2H3/b18-11+