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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(3-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(3-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(3-ethoxy-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O6S/c1-4-28-16-8-6-7-15(12-16)23(30(3,26)27)13-19(24)22-18-10-9-14(11-17(18)21)20(25)29-5-2/h6-12H,4-5,13H2,1-3H3,(H,22,24)