4-ethoxy-N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-ethoxy-N-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-23-12-14-24(15-13-23)21(25)17-6-5-7-18(16-17)22-29(26,27)20-10-8-19(9-11-20)28-4-2/h5-11,16,22H,3-4,12-15H2,1-2H3/p+1