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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3-ethanoylphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(3-acetyl-N-methylsulfonyl-anilino)acetyl]amino]-3-chloro-benzoate CAS Name: 4-[[2-(3-acetyl-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]amino]-3-chlorobenzoate Traditional Name: 4-[[2-(3-acetyl-N-mesyl-anilino)acetyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC(=C2)C(=O)C)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=CC(=C2)C(=O)C)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H21ClN2O6S/c1-4-29-20(26)15-8-9-18(17(21)11-15)22-19(25)12-23(30(3,27)28)16-7-5-6-14(10-16)13(2)24/h5-11H,4,12H2,1-3H3,(H,22,25)