N-[2-oxidanylidene-1-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[2-oxidanylidene-1-phenyl-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-1-phenyl-ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-oxo-1-phenyl-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-1-phenyl-ethyl]piazthiole-4-sulfonamide Formula: C25H25N5O3S2 MolecularWeight: 507.6277

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C25H25N5O3S2/c31-25(30-16-14-29(15-17-30)18-19-8-3-1-4-9-19)23(20-10-5-2-6-11-20)28-35(32,33)22-13-7-12-21-24(22)27-34-26-21/h1-13,23,28H,14-18H2