4-bromanyl-N-cyclopropyl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-cyclopropyl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-bromo-N-cyclopropyl-3-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: 4-bromo-N-cyclopropyl-3-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-bromo-N-cyclopropyl-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-bromo-N-cyclopropyl-3-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C19H23BrN3O3S2+ MolecularWeight: 485.43822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3S2/c20-18-6-5-16(28(25,26)21-14-3-4-14)12-17(18)19(24)23-9-7-22(8-10-23)13-15-2-1-11-27-15/h1-2,5-6,11-12,14,21H,3-4,7-10,13H2/p+1