ethyl 2-chloranyl-5-[2-[(2-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-[(2-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[[2-(2-ethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-(2-ethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[[2-(2-ethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-(2-ethyl-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC=C1N(CC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O5S/c1-4-14-8-6-7-9-18(14)23(29(3,26)27)13-19(24)22-15-10-11-17(21)16(12-15)20(25)28-5-2/h6-12H,4-5,13H2,1-3H3,(H,22,24)