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

Systemtic Name: N-(2-piperidin-1-ylcarbonyl-5-pyrrol-1-yl-phenyl)-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[2-(piperidine-1-carbonyl)-5-pyrrol-1-yl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-[oxo(1-piperidinyl)methyl]-5-(1-pyrrolyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[2-(piperidine-1-carbonyl)-5-pyrrol-1-ylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[2-(piperidine-1-carbonyl)-5-pyrrol-1-yl-phenyl]piazthiole-4-sulfonamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)N3C=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)N3C=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C22H21N5O3S2/c28-22(27-13-2-1-3-14-27)17-10-9-16(26-11-4-5-12-26)15-19(17)25-32(29,30)20-8-6-7-18-21(20)24-31-23-18/h4-12,15,25H,1-3,13-14H2