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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2-methyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2-methylphenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methylphenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)-2-methyl-phenyl]-4-methyl-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)NS(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

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

InChI

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