2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: N-isobutyl-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: N-isobutyl-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5S/c1-13(2)11-18-17(22)12-19-6-8-20(9-7-19)27(25,26)15-5-4-14(3)16(10-15)21(23)24/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,22)/p+1