N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-(3-methylpiperidino)sulfonylphenyl]piazthiole-4-sulfonamide Formula: C18H20N4O4S3 MolecularWeight: 452.5708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H20N4O4S3/c1-13-4-3-11-22(12-13)29(25,26)15-9-7-14(8-10-15)21-28(23,24)17-6-2-5-16-18(17)20-27-19-16/h2,5-10,13,21H,3-4,11-12H2,1H3