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

Systemtic Name: butyl 4-[2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(dimethylsulfamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid butyl ester Formula: C22H29N3O7S2 MolecularWeight: 511.61156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C22H29N3O7S2/c1-5-6-15-32-22(27)17-7-9-18(10-8-17)23-21(26)16-25(33(4,28)29)19-11-13-20(14-12-19)34(30,31)24(2)3/h7-14H,5-6,15-16H2,1-4H3,(H,23,26)