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

Systemtic Name: 2-chloranyl-N-cyclopropyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-cyclopropyl-5-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N-cyclopropyl-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-cyclopropyl-5-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N-cyclopropyl-5-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C19H23ClN3O3S2+ MolecularWeight: 440.98722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4)Cl

Isomeric SMILES

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4)Cl

InChI

InChI=1S/C19H22ClN3O3S2/c20-17-6-3-14(12-18(17)28(25,26)21-15-4-5-15)19(24)23-9-7-22(8-10-23)13-16-2-1-11-27-16/h1-3,6,11-12,15,21H,4-5,7-10,13H2/p+1