N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3,5-dimethyl-N-methylsulfonyl-anilino)acetamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(N-mesyl-3,5-dimethyl-anilino)acetamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3)S(=O)(=O)C)C

InChI

InChI=1S/C24H31N3O4S/c1-18-14-19(2)16-20(15-18)27(32(3,30)31)17-23(28)25-22-11-7-6-10-21(22)24(29)26-12-8-4-5-9-13-26/h6-7,10-11,14-16H,4-5,8-9,12-13,17H2,1-3H3,(H,25,28)