ethyl (E)-2-bromanyl-3-[2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-bromanyl-3-[2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-[allyl(p-tolylsulfonyl)amino]phenyl]-2-bromo-prop-2-enoate CAS Name: (E)-2-bromo-3-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-bromo-3-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-[allyl(tosyl)amino]phenyl]-2-bromo-acrylic acid ethyl ester Formula: C21H22BrNO4S MolecularWeight: 464.37268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=CC=C1N(CC=C)S(=O)(=O)C2=CC=C(C=C2)C)/Br

InChI

InChI=1S/C21H22BrNO4S/c1-4-14-23(28(25,26)18-12-10-16(3)11-13-18)20-9-7-6-8-17(20)15-19(22)21(24)27-5-2/h4,6-13,15H,1,5,14H2,2-3H3/b19-15+