5-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-N-(3-methylphenyl)benzenesulfonamide

Systemtic Name: 5-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-N-(3-methylphenyl)benzenesulfonamide Openeye Name: 5-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-N-(m-tolyl)benzenesulfonamide CAS Name: 5-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-methyl-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: 5-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-N-(3-methylphenyl)benzenesulfonamide Traditional Name: 5-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-N-(m-tolyl)benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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