(2S)-2-[4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-[4-(tert-butylsulfamoyl)-2-nitrophenyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-[4-(tert-butylsulfamoyl)-2-nitrophenyl]piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H30N5O5S+ MolecularWeight: 476.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O5S/c1-22(2,3)24-33(31,32)17-9-10-18(19(15-17)27(29)30)25-11-13-26(14-12-25)20(21(23)28)16-7-5-4-6-8-16/h4-10,15,20,24H,11-14H2,1-3H3,(H2,23,28)/p+1/t20-/m0/s1