N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-2,5-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-2,5-dimethyl-benzenesulfonamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-2,5-dimethyl-benzenesulfonamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2,5-dimethylbenzenesulfonamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-2,5-dimethyl-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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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