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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-4-propoxy-anilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesyl-4-propoxy-anilino)acetamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C

InChI

InChI=1S/C25H33N3O5S/c1-3-18-33-21-14-12-20(13-15-21)28(34(2,31)32)19-24(29)26-23-11-7-6-10-22(23)25(30)27-16-8-4-5-9-17-27/h6-7,10-15H,3-5,8-9,16-19H2,1-2H3,(H,26,29)