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

Systemtic Name: N-[5-(2-methylpropylsulfanyl)-2-piperidin-1-ylcarbonyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[5-isobutylsulfanyl-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[5-(2-methylpropylthio)-2-[oxo(1-piperidinyl)methyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[5-(2-methylpropylsulfanyl)-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[5-(isobutylthio)-2-(piperidine-1-carbonyl)phenyl]piazthiole-4-sulfonamide Formula: C22H26N4O3S3 MolecularWeight: 490.66184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S3/c1-15(2)14-30-16-9-10-17(22(27)26-11-4-3-5-12-26)19(13-16)25-32(28,29)20-8-6-7-18-21(20)24-31-23-18/h6-10,13,15,25H,3-5,11-12,14H2,1-2H3