N-(2-methylbutan-2-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylbutan-2-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,1-dimethylpropyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylbutan-2-yl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylbutan-2-yl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-amyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H27N4O5S+ MolecularWeight: 399.48508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5S/c1-4-17(2,3)18-16(22)13-19-9-11-20(12-10-19)27(25,26)15-8-6-5-7-14(15)21(23)24/h5-8H,4,9-13H2,1-3H3,(H,18,22)/p+1