5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-N-cyclopropyl-benzenesulfonamide

Systemtic Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-N-cyclopropyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N-cyclopropyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-chloro-N-cyclopropylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N-cyclopropylbenzenesulfonamide Traditional Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N-cyclopropyl-benzenesulfonamide Formula: C22H24ClN4O3S2+ MolecularWeight: 492.03396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CC1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c23-17-8-5-15(13-20(17)32(29,30)25-16-6-7-16)22(28)27-11-9-26(10-12-27)14-21-24-18-3-1-2-4-19(18)31-21/h1-5,8,13,16,25H,6-7,9-12,14H2/p+1