2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-N-(3-pyridylmethyl)propanamide CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-N-(3-pyridinylmethyl)propanamide IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-phenyl-2-(piazthiol-4-ylsulfonylamino)-N-(3-pyridylmethyl)propionamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC2=CN=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC2=CN=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H19N5O3S2/c27-21(23-14-16-8-5-11-22-13-16)18(12-15-6-2-1-3-7-15)26-31(28,29)19-10-4-9-17-20(19)25-30-24-17/h1-11,13,18,26H,12,14H2,(H,23,27)