N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl]piazthiole-4-sulfonamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=CC(=C1)OCCNC2=CC=NC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H19N5O3S2/c1-14-11-16(13-17(12-14)28-10-9-22-15-5-7-21-8-6-15)25-30(26,27)19-4-2-3-18-20(19)24-29-23-18/h2-8,11-13,25H,9-10H2,1H3,(H,21,22)