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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[methylsulfonyl(phenyl)amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonylanilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesylanilino)acetamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-30(28,29)25(18-11-5-4-6-12-18)17-21(26)23-20-14-8-7-13-19(20)22(27)24-15-9-2-3-10-16-24/h4-8,11-14H,2-3,9-10,15-17H2,1H3,(H,23,26)