[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-[(4-methoxyphenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoate CAS Name: 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 5-[allyl-(4-methoxyphenyl)sulfamoyl]-2-chloro-benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C27H26ClNO6S MolecularWeight: 528.01644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC=C)C3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC=C)C3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C27H26ClNO6S/c1-5-14-29(20-8-10-21(34-4)11-9-20)36(32,33)22-12-13-25(28)24(16-22)27(31)35-17-26(30)23-15-18(2)6-7-19(23)3/h5-13,15-16H,1,14,17H2,2-4H3