N,N-diethyl-3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-(4-propyl-1-piperazin-4-iumyl)benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(4-propylpiperazin-4-ium-1-yl)benzenesulfonamide Formula: C17H29N4O4S+ MolecularWeight: 385.50156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4S/c1-4-9-18-10-12-19(13-11-18)16-8-7-15(14-17(16)21(22)23)26(24,25)20(5-2)6-3/h7-8,14H,4-6,9-13H2,1-3H3/p+1