(2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-propionamide Formula: C16H25N4O5S+ MolecularWeight: 385.4585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O5S/c1-3-8-17-16(21)13(2)18-9-11-19(12-10-18)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