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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[methylsulfonyl-(2-phenoxyphenyl)amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-2-phenoxy-anilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesyl-2-phenoxy-anilino)acetamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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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=C3OC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)N2CCCCCC2)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O5S/c1-37(34,35)31(25-17-9-10-18-26(25)36-22-13-5-4-6-14-22)21-27(32)29-24-16-8-7-15-23(24)28(33)30-19-11-2-3-12-20-30/h4-10,13-18H,2-3,11-12,19-21H2,1H3,(H,29,32)