N-(3-chloranyl-2-methyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(3-chloro-2-methylphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(3-chloro-2-methylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]benzenesulfonamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S/c1-3-23-12-14-24(15-13-23)21(26)16-25(20-11-7-10-19(22)17(20)2)29(27,28)18-8-5-4-6-9-18/h4-11H,3,12-16H2,1-2H3/p+1