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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-4-(5-chloro-N-mesyl-2-methyl-anilino)butyramide Formula: C25H32ClN3O4S MolecularWeight: 506.05728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN3O4S/c1-19-13-14-20(26)18-23(19)29(34(2,32)33)17-9-12-24(30)27-22-11-6-5-10-21(22)25(31)28-15-7-3-4-8-16-28/h5-6,10-11,13-14,18H,3-4,7-9,12,15-17H2,1-2H3,(H,27,30)