N-[(2S)-butan-2-yl]-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1S)-1-methylpropyl]acetamide Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-5-14(3)19-18(23)12-20-6-8-21(9-7-20)28(26,27)17-11-16(22(24)25)10-13(2)15(17)4/h10-11,14H,5-9,12H2,1-4H3,(H,19,23)/p+1/t14-/m0/s1