ethyl 3-cyano-4-(4-methylphenyl)-2-oxidanyl-6-phenyl-5-(phenylsulfonyl)benzoate

Systemtic Name: ethyl 3-cyano-4-(4-methylphenyl)-2-oxidanyl-6-phenyl-5-(phenylsulfonyl)benzoate Openeye Name: ethyl 5-(benzenesulfonyl)-3-cyano-2-hydroxy-6-phenyl-4-(p-tolyl)benzoate CAS Name: 5-(benzenesulfonyl)-3-cyano-2-hydroxy-4-(4-methylphenyl)-6-phenylbenzoic acid ethyl ester IUPAC Name: ethyl 5-(benzenesulfonyl)-3-cyano-2-hydroxy-4-(4-methylphenyl)-6-phenylbenzoate Traditional Name: 5-besyl-3-cyano-2-hydroxy-6-phenyl-4-(p-tolyl)benzoic acid ethyl ester Formula: C29H23NO5S MolecularWeight: 497.56162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C)C#N)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C)C#N)O

InChI

InChI=1S/C29H23NO5S/c1-3-35-29(32)26-25(20-10-6-4-7-11-20)28(36(33,34)22-12-8-5-9-13-22)24(23(18-30)27(26)31)21-16-14-19(2)15-17-21/h4-17,31H,3H2,1-2H3