cyanomethyl (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxy-phenyl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-(3-indolin-1-ylsulfonyl-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-(3-indolin-1-ylsulfonyl-4,5-dimethoxy-phenyl)acrylic acid cyanomethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC#N)S(=O)(=O)N2CCC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC#N)S(=O)(=O)N2CCC3=CC=CC=C32)OC

InChI

InChI=1S/C21H20N2O6S/c1-27-18-13-15(7-8-20(24)29-12-10-22)14-19(21(18)28-2)30(25,26)23-11-9-16-5-3-4-6-17(16)23/h3-8,13-14H,9,11-12H2,1-2H3/b8-7+