methyl (E)-6-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]hex-2-enoate

Systemtic Name: methyl (E)-6-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]hex-2-enoate Openeye Name: methyl (E)-6-[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]hex-2-enoate CAS Name: (E)-6-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]hex-2-enoate Traditional Name: (E)-6-(4-bromo-1-tosyl-indol-3-yl)hex-2-enoic acid methyl ester Formula: C22H22BrNO4S MolecularWeight: 476.38338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CCCC=CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)CCC/C=C/C(=O)OC

InChI

InChI=1S/C22H22BrNO4S/c1-16-11-13-18(14-12-16)29(26,27)24-15-17(7-4-3-5-10-21(25)28-2)22-19(23)8-6-9-20(22)24/h5-6,8-15H,3-4,7H2,1-2H3/b10-5+