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

Systemtic Name: ethyl 4-[2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(dimethylsulfamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid ethyl ester Formula: C20H25N3O7S2 MolecularWeight: 483.5584

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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

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

InChI

InChI=1S/C20H25N3O7S2/c1-5-30-20(25)15-6-8-16(9-7-15)21-19(24)14-23(31(4,26)27)17-10-12-18(13-11-17)32(28,29)22(2)3/h6-13H,5,14H2,1-4H3,(H,21,24)