N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-methyl-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-methyl-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-keto-2-methyl-quinazolin-3-yl)acetamide Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CC(=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(30)28(16)15-22(29)26-21-14-17(10-11-19(21)24)33(31,32)27-12-6-2-3-7-13-27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,26,29)