N-[4-(azepan-1-ylsulfonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]piazthiole-4-sulfonamide Formula: C18H20N4O4S3 MolecularWeight: 452.5708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H20N4O4S3/c23-28(24,17-7-5-6-16-18(17)20-27-19-16)21-14-8-10-15(11-9-14)29(25,26)22-12-3-1-2-4-13-22/h5-11,21H,1-4,12-13H2