N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-(4-keto-7-nitro-quinazolin-3-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C21H21N5O7S MolecularWeight: 487.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7S/c1-14-2-4-16(34(31,32)25-6-8-33-9-7-25)11-18(14)23-20(27)12-24-13-22-19-10-15(26(29)30)3-5-17(19)21(24)28/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,27)