N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-phenyl]benzenesulfonamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-phenyl]benzenesulfonamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]benzenesulfonamide CAS Name: N-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-methylphenyl]benzenesulfonamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methylphenyl]benzenesulfonamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]benzenesulfonamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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