N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzenesulfonamide Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c29-25(28-17-15-27(16-18-28)19-20-32-23-7-3-1-4-8-23)21-11-13-22(14-12-21)26-33(30,31)24-9-5-2-6-10-24/h1-14,26H,15-20H2/p+1