ethyl (E)-3-[2-(bromomethyl)-5-methoxy-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-(bromomethyl)-5-methoxy-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(benzenesulfonyl)-2-(bromomethyl)-5-methoxy-indol-3-yl]prop-2-enoate CAS Name: (E)-3-[1-(benzenesulfonyl)-2-(bromomethyl)-5-methoxy-3-indolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(benzenesulfonyl)-2-(bromomethyl)-5-methoxyindol-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-besyl-2-(bromomethyl)-5-methoxy-indol-3-yl]acrylic acid ethyl ester Formula: C21H20BrNO5S MolecularWeight: 478.3562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)CBr

Isomeric SMILES

CCOC(=O)/C=C/C1=C(N(C2=C1C=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3)CBr

InChI

InChI=1S/C21H20BrNO5S/c1-3-28-21(24)12-10-17-18-13-15(27-2)9-11-19(18)23(20(17)14-22)29(25,26)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3/b12-10+