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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(2-methoxy-5-methyl-phenyl)benzenesulfonamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(2-methoxy-5-methyl-phenyl)benzenesulfonamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(2-methoxy-5-methyl-phenyl)benzenesulfonamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-4-23-12-14-24(15-13-23)22(26)17-25(20-16-18(2)10-11-21(20)29-3)30(27,28)19-8-6-5-7-9-19/h5-11,16H,4,12-15,17H2,1-3H3/p+1