(2S)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide

Systemtic Name: (2S)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Openeye Name: (2S)-N-isobutyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methylpropyl)propanamide IUPAC Name: (2S)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylpropyl)propanamide Traditional Name: (2S)-N-isobutyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NCC(C)C

InChI

InChI=1S/C18H28N4O5S/c1-13(2)12-19-18(23)15(4)20-7-9-21(10-8-20)28(26,27)17-11-16(22(24)25)6-5-14(17)3/h5-6,11,13,15H,7-10,12H2,1-4H3,(H,19,23)/p+1/t15-/m0/s1