N-[(E)-7-bromanyl-6-(4-methylphenyl)sulfonyl-hept-5-enyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(E)-7-bromanyl-6-(4-methylphenyl)sulfonyl-hept-5-enyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(E)-7-bromo-6-(p-tolylsulfonyl)hept-5-enyl]-4-methyl-benzenesulfonamide CAS Name: N-[(E)-7-bromo-6-(4-methylphenyl)sulfonylhept-5-enyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(E)-7-bromo-6-(4-methylphenyl)sulfonylhept-5-enyl]-4-methylbenzenesulfonamide Traditional Name: N-[(E)-7-bromo-6-tosyl-hept-5-enyl]-4-methyl-benzenesulfonamide Formula: C21H26BrNO4S2 MolecularWeight: 500.46944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO4S2/c1-17-7-11-19(12-8-17)28(24,25)21(16-22)6-4-3-5-15-23-29(26,27)20-13-9-18(2)10-14-20/h6-14,23H,3-5,15-16H2,1-2H3/b21-6+