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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C

InChI

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