2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-chloranyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-N-(4-chloranyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-chloro-2-fluoro-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)anilino]-N-(4-chloro-2-fluorophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-chloro-2-fluorophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-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=C(C=C2)NCC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

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

InChI

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