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

Systemtic Name: N,N-diethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-(4-ethyl-1-piperazin-4-iumyl)-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C16H27N4O4S+ MolecularWeight: 371.47498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O4S/c1-4-17-9-11-18(12-10-17)15-8-7-14(13-16(15)20(21)22)25(23,24)19(5-2)6-3/h7-8,13H,4-6,9-12H2,1-3H3/p+1