N-(5-methylsulfanyl-2-piperidin-1-ylcarbonyl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-(5-methylsulfanyl-2-piperidin-1-ylcarbonyl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[5-methylsulfanyl-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[5-(methylthio)-2-[oxo(1-piperidinyl)methyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[5-methylsulfanyl-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[5-(methylthio)-2-(piperidine-1-carbonyl)phenyl]piazthiole-4-sulfonamide Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)C(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CSC1=CC(=C(C=C1)C(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20N4O3S3/c1-27-13-8-9-14(19(24)23-10-3-2-4-11-23)16(12-13)22-29(25,26)17-7-5-6-15-18(17)21-28-20-15/h5-9,12,22H,2-4,10-11H2,1H3