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

Systemtic Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-chloranyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N,N-dimethyl-benzenesulfonamide CAS Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-chloro-N,N-dimethylbenzenesulfonamide IUPAC Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N,N-dimethylbenzenesulfonamide Traditional Name: 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-2-chloro-N,N-dimethyl-benzenesulfonamide Formula: C21H24ClN4O3S2+ MolecularWeight: 480.02326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H23ClN4O3S2/c1-24(2)31(28,29)19-13-15(7-8-16(19)22)21(27)26-11-9-25(10-12-26)14-20-23-17-5-3-4-6-18(17)30-20/h3-8,13H,9-12,14H2,1-2H3/p+1