N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzenesulfonamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzenesulfonamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzenesulfonamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-cyanobenzenesulfonamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-cyanobenzenesulfonamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-cyano-benzenesulfonamide Formula: C19H22ClN4O2S+ MolecularWeight: 405.92158

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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=CC(=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O2S/c1-2-23-8-10-24(11-9-23)19-7-6-16(20)13-18(19)22-27(25,26)17-5-3-4-15(12-17)14-21/h3-7,12-13,22H,2,8-11H2,1H3/p+1