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

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-N-phenyl-benzenesulfonamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-N-phenyl-benzenesulfonamide CAS Name: N-[[4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]-N-phenylbenzenesulfonamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-N-phenylbenzenesulfonamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-carbonyl)benzyl]-N-phenyl-benzenesulfonamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-26-16-18-27(19-17-26)25(29)22-14-12-21(13-15-22)20-28(23-8-4-2-5-9-23)32(30,31)24-10-6-3-7-11-24/h2-15H,16-20H2,1H3/p+1