2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)carbonyl-N-(4-methylphenyl)benzenesulfonamide

Systemtic Name: 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)carbonyl-N-(4-methylphenyl)benzenesulfonamide Openeye Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-carbonyl)-N-(p-tolyl)benzenesulfonamide CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-carbonyl)-N-(p-tolyl)benzenesulfonamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S/c1-3-23-10-12-24(13-11-23)20(25)16-6-9-18(21)19(14-16)28(26,27)22-17-7-4-15(2)5-8-17/h4-9,14,22H,3,10-13H2,1-2H3/p+1