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

Systemtic Name: ethyl 4-(4-chlorophenyl)-3-cyano-2-oxidanyl-6-phenyl-5-(phenylsulfonyl)benzoate Openeye Name: ethyl 5-(benzenesulfonyl)-4-(4-chlorophenyl)-3-cyano-2-hydroxy-6-phenyl-benzoate CAS Name: 5-(benzenesulfonyl)-4-(4-chlorophenyl)-3-cyano-2-hydroxy-6-phenylbenzoic acid ethyl ester IUPAC Name: ethyl 5-(benzenesulfonyl)-4-(4-chlorophenyl)-3-cyano-2-hydroxy-6-phenylbenzoate Traditional Name: 5-besyl-4-(4-chlorophenyl)-3-cyano-2-hydroxy-6-phenyl-benzoic acid ethyl ester Formula: C28H20ClNO5S MolecularWeight: 517.9801

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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)Cl)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)Cl)C#N)O

InChI

InChI=1S/C28H20ClNO5S/c1-2-35-28(32)25-24(18-9-5-3-6-10-18)27(36(33,34)21-11-7-4-8-12-21)23(22(17-30)26(25)31)19-13-15-20(29)16-14-19/h3-16,31H,2H2,1H3