N-[6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide

Systemtic Name: N-[6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide Openeye Name: N-[6-(4-benzylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: N-[6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: N-[6-(4-benzylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: N-[6-(4-benzylpiperazin-4-ium-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C25H25N4O3S2+ MolecularWeight: 493.621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S2/c30-24(29-15-13-28(14-16-29)18-19-7-3-1-4-8-19)20-11-12-22-23(17-20)33-25(26-22)27-34(31,32)21-9-5-2-6-10-21/h1-12,17H,13-16,18H2,(H,26,27)/p+1