(2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide

Systemtic Name: (2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Openeye Name: (2S)-N,N-diisopropyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-di(propan-2-yl)propanamide IUPAC Name: (2S)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)propanamide Traditional Name: (2S)-N,N-diisopropyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S/c1-14(2)22(15(3)4)19(24)16(5)20-10-12-21(13-11-20)29(27,28)18-9-7-6-8-17(18)23(25)26/h6-9,14-16H,10-13H2,1-5H3/p+1/t16-/m0/s1