ethyl 2-chloranyl-4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]benzoate CAS Name: 2-chloro-4-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate Traditional Name: 2-chloro-4-[[2-[methyl(tosyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C19H21ClN2O5S MolecularWeight: 424.89844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O5S/c1-4-27-19(24)16-10-7-14(11-17(16)20)21-18(23)12-22(3)28(25,26)15-8-5-13(2)6-9-15/h5-11H,4,12H2,1-3H3,(H,21,23)