N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(4-chlorophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(4-chlorophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-chloro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-chloro-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(4-chloro-N-mesyl-anilino)acetamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-31(29,30)26(18-12-10-17(23)11-13-18)16-21(27)24-20-9-5-4-8-19(20)22(28)25-14-6-2-3-7-15-25/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,24,27)