N-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-(4-ethyl-1-piperazin-4-iumyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzenesulfonamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-4-22-9-11-23(12-10-22)19-8-6-17(14-20(19)24(25)26)29(27,28)21-18-7-5-15(2)13-16(18)3/h5-8,13-14,21H,4,9-12H2,1-3H3/p+1