N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3,4-dichlorophenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3,4-dichlorophenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3,4-dichloro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3,4-dichloro-N-mesyl-anilino)acetamide Formula: C22H25Cl2N3O4S MolecularWeight: 498.4226

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2N3O4S/c1-32(30,31)27(16-10-11-18(23)19(24)14-16)15-21(28)25-20-9-5-4-8-17(20)22(29)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,25,28)