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

Systemtic Name: N-[5-[(phenylmethyl)amino]-2-piperidin-1-ylcarbonyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[5-(benzylamino)-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[2-[oxo(1-piperidinyl)methyl]-5-[(phenylmethyl)amino]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[5-(benzylamino)-2-(piperidine-1-carbonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[5-(benzylamino)-2-(piperidine-1-carbonyl)phenyl]piazthiole-4-sulfonamide Formula: C25H25N5O3S2 MolecularWeight: 507.6277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)NCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)NCC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C25H25N5O3S2/c31-25(30-14-5-2-6-15-30)20-13-12-19(26-17-18-8-3-1-4-9-18)16-22(20)29-35(32,33)23-11-7-10-21-24(23)28-34-27-21/h1,3-4,7-13,16,26,29H,2,5-6,14-15,17H2