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

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

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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

Isomeric SMILES

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

InChI

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