(1-cyanoindolizin-2-yl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (1-cyanoindolizin-2-yl)methyl (E)-3-(4-indolin-1-ylsulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-propenoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-indolin-1-ylsulfonylphenyl)acrylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)OCC4=CN5C=CC=CC5=C4C#N

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)OCC4=CN5C=CC=CC5=C4C#N

InChI

InChI=1S/C27H21N3O4S/c28-17-24-22(18-29-15-4-3-7-26(24)29)19-34-27(31)13-10-20-8-11-23(12-9-20)35(32,33)30-16-14-21-5-1-2-6-25(21)30/h1-13,15,18H,14,16,19H2/b13-10+