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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3-methoxyphenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(3-methoxy-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(3-methoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(3-methoxy-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(N-mesyl-3-methoxy-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O6S/c1-4-28-19(24)13-8-9-17(16(20)10-13)21-18(23)12-22(29(3,25)26)14-6-5-7-15(11-14)27-2/h5-11H,4,12H2,1-3H3,(H,21,23)