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

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(5-chloranyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(5-chloro-2-fluoro-phenyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(5-chloro-2-fluorophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(5-chloro-2-fluorophenyl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(5-chloro-2-fluoro-phenyl)acetamide Formula: C21H25ClFN3O4S MolecularWeight: 469.957303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=C(C=CC(=C3)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C21H25ClFN3O4S/c1-30-20-9-7-16(31(28,29)26-10-4-2-3-5-11-26)13-19(20)24-14-21(27)25-18-12-15(22)6-8-17(18)23/h6-9,12-13,24H,2-5,10-11,14H2,1H3,(H,25,27)