methyl 3-[[3-[2-cyano-2-(phenylsulfonyl)ethenyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[2-cyano-2-(phenylsulfonyl)ethenyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[2-(benzenesulfonyl)-2-cyano-vinyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[2-(benzenesulfonyl)-2-cyanoethenyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[2-(benzenesulfonyl)-2-cyanoethenyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-(2-besyl-2-cyano-vinyl)indol-1-yl]methyl]benzoic acid methyl ester Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H20N2O4S/c1-32-26(29)20-9-7-8-19(14-20)17-28-18-21(24-12-5-6-13-25(24)28)15-23(16-27)33(30,31)22-10-3-2-4-11-22/h2-15,18H,17H2,1H3