N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(2,5-dimethyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(N-mesyl-2,5-dimethyl-anilino)butyramide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-20-14-15-21(2)24(19-20)29(34(3,32)33)18-10-13-25(30)27-23-12-7-6-11-22(23)26(31)28-16-8-4-5-9-17-28/h6-7,11-12,14-15,19H,4-5,8-10,13,16-18H2,1-3H3,(H,27,30)