3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide

Systemtic Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Openeye Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide CAS Name: 3-nitro-4-(4-propyl-1-piperazin-4-iumyl)benzenesulfonamide IUPAC Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Traditional Name: 3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Formula: C13H21N4O4S+ MolecularWeight: 329.39524

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H20N4O4S/c1-2-5-15-6-8-16(9-7-15)12-4-3-11(22(14,20)21)10-13(12)17(18)19/h3-4,10H,2,5-9H2,1H3,(H2,14,20,21)/p+1