(2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-tert-butyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-13(16(22)18-17(2,3)4)19-9-11-20(12-10-19)27(25,26)15-8-6-5-7-14(15)21(23)24/h5-8,13H,9-12H2,1-4H3,(H,18,22)/p+1/t13-/m1/s1