2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(7-nitro-4-oxo-quinazolin-3-yl)-N-[3-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(7-nitro-4-oxo-3-quinazolinyl)-N-[3-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(7-nitro-4-oxoquinazolin-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-keto-7-nitro-quinazolin-3-yl)-N-(3-piperidinosulfonylphenyl)acetamide Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c27-20(13-24-14-22-19-12-16(26(29)30)7-8-18(19)21(24)28)23-15-5-4-6-17(11-15)33(31,32)25-9-2-1-3-10-25/h4-8,11-12,14H,1-3,9-10,13H2,(H,23,27)