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

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C21H20ClN5O6S MolecularWeight: 505.9314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(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

C1CCN(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/C21H20ClN5O6S/c22-17-6-5-15(34(32,33)26-8-2-1-3-9-26)11-19(17)24-20(28)12-25-13-23-18-7-4-14(27(30)31)10-16(18)21(25)29/h4-7,10-11,13H,1-3,8-9,12H2,(H,24,28)