(2R)-N-tert-butyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-tert-butyl-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-tert-butyl-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-tert-butyl-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)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-13-6-7-15(22(24)25)12-16(13)28(26,27)21-10-8-20(9-11-21)14(2)17(23)19-18(3,4)5/h6-7,12,14H,8-11H2,1-5H3,(H,19,23)/p+1/t14-/m1/s1