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

Systemtic Name: N-[1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[1-benzyl-2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[1-oxo-3-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[1-benzyl-2-(4-benzylpiperazino)-2-keto-ethyl]piazthiole-4-sulfonamide Formula: C26H27N5O3S2 MolecularWeight: 521.65428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C26H27N5O3S2/c32-26(31-16-14-30(15-17-31)19-21-10-5-2-6-11-21)23(18-20-8-3-1-4-9-20)29-36(33,34)24-13-7-12-22-25(24)28-35-27-22/h1-13,23,29H,14-19H2