N-(2,4-dimethylphenyl)-3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-4-23-10-12-24(13-11-23)21(25)18-6-5-7-19(15-18)28(26,27)22-20-9-8-16(2)14-17(20)3/h5-9,14-15,22H,4,10-13H2,1-3H3/p+1