N-[5-(phenylmethylsulfanyl)-2-piperidin-1-ylcarbonyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-2-piperidin-1-ylcarbonyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[5-benzylsulfanyl-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-[oxo(1-piperidinyl)methyl]-5-(phenylmethylthio)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[5-benzylsulfanyl-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[5-(benzylthio)-2-(piperidine-1-carbonyl)phenyl]piazthiole-4-sulfonamide Formula: C25H24N4O3S3 MolecularWeight: 524.67806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)SCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)SCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C25H24N4O3S3/c30-25(29-14-5-2-6-15-29)20-13-12-19(33-17-18-8-3-1-4-9-18)16-22(20)28-35(31,32)23-11-7-10-21-24(23)27-34-26-21/h1,3-4,7-13,16,28H,2,5-6,14-15,17H2