[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H18ClNO6S/c1-3-25-13-6-4-12(5-7-13)20-17(21)11-26-18(22)15-10-14(27(2,23)24)8-9-16(15)19/h4-10H,3,11H2,1-2H3,(H,20,21)