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

Systemtic Name: (3-cyanophenyl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (3-cyanophenyl)methyl (E)-3-(4-indolin-1-ylsulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-propenoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-indolin-1-ylsulfonylphenyl)acrylic acid (3-cyanobenzyl) ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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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=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H20N2O4S/c26-17-20-4-3-5-21(16-20)18-31-25(28)13-10-19-8-11-23(12-9-19)32(29,30)27-15-14-22-6-1-2-7-24(22)27/h1-13,16H,14-15,18H2/b13-10+