3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-oxidanyl-5-sulfamoyl-phenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(2-oxidanyl-5-sulfamoyl-phenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxy-5-sulfamoyl-phenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(2-hydroxy-5-sulfamoylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxy-5-sulfamoylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxy-5-sulfamoyl-phenyl)benzamide Formula: C19H22ClN3O6S2 MolecularWeight: 487.97748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O6S2/c20-15-7-5-13(11-18(15)31(28,29)23-9-3-1-2-4-10-23)19(25)22-16-12-14(30(21,26)27)6-8-17(16)24/h5-8,11-12,24H,1-4,9-10H2,(H,22,25)(H2,21,26,27)