N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-nitro-benzenesulfonamide Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-2-20-11-13-21(14-12-20)18-6-4-3-5-17(18)19-27(25,26)16-9-7-15(8-10-16)22(23)24/h3-10,19H,2,11-14H2,1H3/p+1