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

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-N-(3-methylphenyl)benzenesulfonamide Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-(m-tolyl)benzenesulfonamide CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-N-(3-methylphenyl)benzenesulfonamide IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-(m-tolyl)benzenesulfonamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-3-22-10-12-23(13-11-22)20(24)17-7-5-9-19(15-17)27(25,26)21-18-8-4-6-16(2)14-18/h4-9,14-15,21H,3,10-13H2,1-2H3/p+1