N-[(2S)-butan-2-yl]-2-[4-[4-(methylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-[4-(methylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[4-[4-(methylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-[4-(methylsulfamoyl)-2-nitrophenyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-[4-(methylsulfamoyl)-2-nitrophenyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[4-[4-(methylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]acetamide Formula: C17H28N5O5S+ MolecularWeight: 414.49972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O5S/c1-4-13(2)19-17(23)12-20-7-9-21(10-8-20)15-6-5-14(28(26,27)18-3)11-16(15)22(24)25/h5-6,11,13,18H,4,7-10,12H2,1-3H3,(H,19,23)/p+1/t13-/m0/s1