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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-ketoquinazolin-3-yl)acetamide Formula: C22H23ClN4O4S MolecularWeight: 474.96042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23ClN4O4S/c23-18-10-9-16(32(30,31)27-11-5-1-2-6-12-27)13-20(18)25-21(28)14-26-15-24-19-8-4-3-7-17(19)22(26)29/h3-4,7-10,13,15H,1-2,5-6,11-12,14H2,(H,25,28)