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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzenesulfonamide CAS Name: N-(5-chloro-2-methoxyphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]benzenesulfonamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]benzenesulfonamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]benzenesulfonamide Formula: C21H27ClN3O4S+ MolecularWeight: 452.97478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4S/c1-3-23-11-13-24(14-12-23)21(26)16-25(19-15-17(22)9-10-20(19)29-2)30(27,28)18-7-5-4-6-8-18/h4-10,15H,3,11-14,16H2,1-2H3/p+1