methyl 4-[6-cyano-2-(phenylsulfonyl)-1,3-dihydroisoindol-5-yl]benzoate

Systemtic Name: methyl 4-[6-cyano-2-(phenylsulfonyl)-1,3-dihydroisoindol-5-yl]benzoate Openeye Name: methyl 4-[2-(benzenesulfonyl)-6-cyano-isoindolin-5-yl]benzoate CAS Name: 4-[2-(benzenesulfonyl)-6-cyano-1,3-dihydroisoindol-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(benzenesulfonyl)-6-cyano-1,3-dihydroisoindol-5-yl]benzoate Traditional Name: 4-(2-besyl-6-cyano-isoindolin-5-yl)benzoic acid methyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC3=C(CN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC3=C(CN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2C#N

InChI

InChI=1S/C23H18N2O4S/c1-29-23(26)17-9-7-16(8-10-17)22-12-20-15-25(14-19(20)11-18(22)13-24)30(27,28)21-5-3-2-4-6-21/h2-12H,14-15H2,1H3