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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(2,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2,4-dimethoxy-N-methylsulfonyl-anilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesyl-2,4-dimethoxy-anilino)acetamide Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C)OC

InChI

InChI=1S/C24H31N3O6S/c1-32-18-12-13-21(22(16-18)33-2)27(34(3,30)31)17-23(28)25-20-11-7-6-10-19(20)24(29)26-14-8-4-5-9-15-26/h6-7,10-13,16H,4-5,8-9,14-15,17H2,1-3H3,(H,25,28)