2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(2-chloranyl-4-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-N-(2-chloranyl-4-fluoranyl-phenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2-chloro-4-fluoro-phenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)-4-methylanilino]-N-(2-chloro-4-fluorophenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N-(2-chloro-4-fluorophenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-N-(2-chloro-4-fluoro-phenyl)acetamide Formula: C21H25ClFN3O3S MolecularWeight: 453.957903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)F)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)F)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClFN3O3S/c1-15-6-8-17(13-20(15)30(28,29)26-10-4-2-3-5-11-26)24-14-21(27)25-19-9-7-16(23)12-18(19)22/h6-9,12-13,24H,2-5,10-11,14H2,1H3,(H,25,27)