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

Systemtic Name: N-[(2S)-butan-2-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylpropyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-butan-2-yl]-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-butan-2-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1S)-1-methylpropyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C16H25N4O5S+ MolecularWeight: 385.4585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O5S/c1-3-13(2)17-16(21)12-18-8-10-19(11-9-18)26(24,25)15-7-5-4-6-14(15)20(22)23/h4-7,13H,3,8-12H2,1-2H3,(H,17,21)/p+1/t13-/m0/s1