3-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[4-(dimethylsulfamoyl)-1-piperazinyl]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[4-(dimethylsulfamoyl)piperazino]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C16H25N5O5S MolecularWeight: 399.4652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCN2CCN(CC2)S(=O)(=O)N(C)C

InChI

InChI=1S/C16H25N5O5S/c1-13-12-14(21(23)24)4-5-15(13)17-16(22)6-7-19-8-10-20(11-9-19)27(25,26)18(2)3/h4-5,12H,6-11H2,1-3H3,(H,17,22)