N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-chloranyl-benzenesulfonamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-2-chloranyl-benzenesulfonamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-2-chloro-benzenesulfonamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2-chlorobenzenesulfonamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-2-chlorobenzenesulfonamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-2-chloro-benzenesulfonamide Formula: C21H24ClN4O3S2+ MolecularWeight: 480.02326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCNS(=O)(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CCNS(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN4O3S2/c22-16-5-1-4-8-19(16)31(28,29)23-10-9-21(27)26-13-11-25(12-14-26)15-20-24-17-6-2-3-7-18(17)30-20/h1-8,23H,9-15H2/p+1