ethyl (E)-3-[3-(bromomethyl)-1-(phenylsulfonyl)indol-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-(bromomethyl)-1-(phenylsulfonyl)indol-2-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(benzenesulfonyl)-3-(bromomethyl)indol-2-yl]prop-2-enoate CAS Name: (E)-3-[1-(benzenesulfonyl)-3-(bromomethyl)-2-indolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(benzenesulfonyl)-3-(bromomethyl)indol-2-yl]prop-2-enoate Traditional Name: (E)-3-[1-besyl-3-(bromomethyl)indol-2-yl]acrylic acid ethyl ester Formula: C20H18BrNO4S MolecularWeight: 448.33022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)CBr

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)CBr

InChI

InChI=1S/C20H18BrNO4S/c1-2-26-20(23)13-12-19-17(14-21)16-10-6-7-11-18(16)22(19)27(24,25)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3/b13-12+