(2S)-2-[4-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-[4-(isopropylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-2-[4-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-2-[4-[2-nitro-4-(propan-2-ylsulfamoyl)phenyl]piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-2-[4-[4-(isopropylsulfamoyl)-2-nitro-phenyl]piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C21H28N5O5S+ MolecularWeight: 462.54252

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C21H27N5O5S/c1-15(2)23-32(30,31)17-8-9-18(19(14-17)26(28)29)24-10-12-25(13-11-24)20(21(22)27)16-6-4-3-5-7-16/h3-9,14-15,20,23H,10-13H2,1-2H3,(H2,22,27)/p+1/t20-/m0/s1