2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(4-sulfamoylphenyl)acetamide Formula: C19H24N4O5S3 MolecularWeight: 484.61266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H24N4O5S3/c20-30(25,26)16-7-5-15(6-8-16)22-18(24)14-29-19-10-9-17(13-21-19)31(27,28)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2,(H,22,24)(H2,20,25,26)