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

Systemtic Name: methyl 4-chloranyl-3-[2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[4-(dimethylsulfamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid methyl ester Formula: C19H22ClN3O7S2 MolecularWeight: 503.97688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O7S2/c1-22(2)32(28,29)15-8-6-14(7-9-15)23(31(4,26)27)12-18(24)21-17-11-13(19(25)30-3)5-10-16(17)20/h5-11H,12H2,1-4H3,(H,21,24)