2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[[4-(dimethylsulfamoyl)phenyl]-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[4-(dimethylsulfamoyl)-N-methylsulfonyl-anilino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[4-(dimethylsulfamoyl)-N-mesyl-anilino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C17H25N5O5S2 MolecularWeight: 443.5409

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)N(CC(=O)NCCCN2C=CN=C2)S(=O)(=O)C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)N(CC(=O)NCCCN2C=CN=C2)S(=O)(=O)C

InChI

InChI=1S/C17H25N5O5S2/c1-20(2)29(26,27)16-7-5-15(6-8-16)22(28(3,24)25)13-17(23)19-9-4-11-21-12-10-18-14-21/h5-8,10,12,14H,4,9,11,13H2,1-3H3,(H,19,23)