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

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-(5-chloro-N-mesyl-2-methyl-anilino)propionamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30ClN3O4S/c1-17-12-13-19(25)16-22(17)28(33(3,31)32)18(2)23(29)26-21-11-7-6-10-20(21)24(30)27-14-8-4-5-9-15-27/h6-7,10-13,16,18H,4-5,8-9,14-15H2,1-3H3,(H,26,29)