ethyl 3-chloranyl-4-[2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-ethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(4-ethyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(4-ethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(4-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=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C

InChI

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