N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methylquinazolin-4-yl)oxy-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methylquinazolin-4-yl)oxy-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-methylquinazolin-4-yl)oxy-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(2-methyl-4-quinazolinyl)oxy]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-methylquinazolin-4-yl)oxyacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-methylquinazolin-4-yl)oxy-acetamide Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H25ClN4O4S/c1-16-25-20-9-5-4-8-18(20)23(26-16)32-15-22(29)27-21-14-17(10-11-19(21)24)33(30,31)28-12-6-2-3-7-13-28/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,27,29)