2-[4-[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]amino]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[[4-(tert-butylsulfamoyl)-2-nitro-phenyl]amino]piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitro-anilino]piperidin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitroanilino]-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitroanilino]piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitro-anilino]piperidin-1-ium-1-yl]acetamide Formula: C17H28N5O5S+ MolecularWeight: 414.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CC[NH+](CC2)CC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2CC[NH+](CC2)CC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H27N5O5S/c1-17(2,3)20-28(26,27)13-4-5-14(15(10-13)22(24)25)19-12-6-8-21(9-7-12)11-16(18)23/h4-5,10,12,19-20H,6-9,11H2,1-3H3,(H2,18,23)/p+1