2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(5-chloranyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(5-chloranyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-fluoro-phenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(5-chloro-2-fluorophenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-fluorophenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2-fluoro-phenyl)acetamide Formula: C20H23ClFN3O3S MolecularWeight: 439.931323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=C(C=CC(=C3)Cl)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NCC(=O)NC3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C20H23ClFN3O3S/c21-15-8-9-18(22)19(12-15)24-20(26)14-23-16-6-5-7-17(13-16)29(27,28)25-10-3-1-2-4-11-25/h5-9,12-13,23H,1-4,10-11,14H2,(H,24,26)