N-[3-(azepan-1-yl)propyl]-2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(3-chloro-4-fluoro-N-mesyl-anilino)acetamide Formula: C18H27ClFN3O3S MolecularWeight: 419.941683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCN1CCCCCC1)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H27ClFN3O3S/c1-27(25,26)23(15-7-8-17(20)16(19)13-15)14-18(24)21-9-6-12-22-10-4-2-3-5-11-22/h7-8,13H,2-6,9-12,14H2,1H3,(H,21,24)