2-chloranyl-N-cyclopropyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-cyclopropyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-cyclopropyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N-cyclopropyl-5-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-cyclopropyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N-cyclopropyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C22H27ClN3O4S+ MolecularWeight: 464.98548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)Cl

Isomeric SMILES

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H26ClN3O4S/c23-20-9-6-17(16-21(20)31(28,29)24-18-7-8-18)22(27)26-12-10-25(11-13-26)14-15-30-19-4-2-1-3-5-19/h1-6,9,16,18,24H,7-8,10-15H2/p+1