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

Systemtic Name: ethyl 3-chloranyl-4-[2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-[4-(dimethylsulfamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid ethyl ester Formula: C20H24ClN3O7S2 MolecularWeight: 518.00346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O7S2/c1-5-31-20(26)14-6-11-18(17(21)12-14)22-19(25)13-24(32(4,27)28)15-7-9-16(10-8-15)33(29,30)23(2)3/h6-12H,5,13H2,1-4H3,(H,22,25)