[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [2-(2-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [2-(2-acetylanilino)-2-keto-ethyl] ester Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C18H16ClNO6S/c1-11(21)13-5-3-4-6-15(13)20-17(22)10-26-18(23)12-7-8-14(19)16(9-12)27(2,24)25/h3-9H,10H2,1-2H3,(H,20,22)