dimethyl 5-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(5-chloro-N-mesyl-2-methyl-anilino)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23ClN2O7S MolecularWeight: 482.93452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C21H23ClN2O7S/c1-12-6-7-16(22)11-18(12)24(32(5,28)29)13(2)19(25)23-17-9-14(20(26)30-3)8-15(10-17)21(27)31-4/h6-11,13H,1-5H3,(H,23,25)