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

Systemtic Name: (2S)-N-(2-methylpropyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-isobutyl-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-methylpropyl)-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methylpropyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-isobutyl-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)CNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O5S/c1-13(2)12-18-17(22)14(3)19-8-10-20(11-9-19)27(25,26)16-7-5-4-6-15(16)21(23)24/h4-7,13-14H,8-12H2,1-3H3,(H,18,22)/p+1/t14-/m0/s1