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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N-(furan-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(2-furylmethyl)benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N-(2-furanylmethyl)benzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-N-(2-furfuryl)benzenesulfonamide Formula: C24H25N4O4S2+ MolecularWeight: 497.6097

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CO5

InChI

InChI=1S/C24H24N4O4S2/c29-24(18-7-9-20(10-8-18)34(30,31)25-16-19-4-3-15-32-19)28-13-11-27(12-14-28)17-23-26-21-5-1-2-6-22(21)33-23/h1-10,15,25H,11-14,16-17H2/p+1