N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C22H22ClN5O6S MolecularWeight: 519.95798

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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=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN5O6S/c23-18-7-6-16(35(33,34)27-9-3-1-2-4-10-27)12-20(18)25-21(29)13-26-14-24-19-8-5-15(28(31)32)11-17(19)22(26)30/h5-8,11-12,14H,1-4,9-10,13H2,(H,25,29)