ethyl (E)-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-bromo-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoate CAS Name: (E)-3-[4-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoate Traditional Name: (E)-3-(4-bromo-1-tosyl-indol-3-yl)acrylic acid ethyl ester Formula: C20H18BrNO4S MolecularWeight: 448.33022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN(C2=C1C(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CN(C2=C1C(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H18BrNO4S/c1-3-26-19(23)12-9-15-13-22(18-6-4-5-17(21)20(15)18)27(24,25)16-10-7-14(2)8-11-16/h4-13H,3H2,1-2H3/b12-9+