N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-benzenesulfonamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-benzenesulfonamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxybenzenesulfonamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-ethoxy-benzenesulfonamide Formula: C20H27ClN3O3S+ MolecularWeight: 424.96468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C20H26ClN3O3S/c1-3-23-11-13-24(14-12-23)20-10-5-16(21)15-19(20)22-28(25,26)18-8-6-17(7-9-18)27-4-2/h5-10,15,22H,3-4,11-14H2,1-2H3/p+1