[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H18ClNO7S MolecularWeight: 427.85602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C18H18ClNO7S/c1-25-15-7-4-11(8-16(15)26-2)20-17(21)10-27-18(22)13-9-12(28(3,23)24)5-6-14(13)19/h4-9H,10H2,1-3H3,(H,20,21)