N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-chloro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(6-chloro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(6-chloro-4-keto-quinazolin-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)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O4S/c23-16-5-10-20-19(13-16)22(29)26(15-24-20)14-21(28)25-17-6-8-18(9-7-17)32(30,31)27-11-3-1-2-4-12-27/h5-10,13,15H,1-4,11-12,14H2,(H,25,28)