N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-(7-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-(7-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-(7-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: 2-(4-keto-7-nitro-quinazolin-3-yl)-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H23N5O6S/c1-15-5-6-16(11-20(15)34(32,33)26-9-3-2-4-10-26)24-21(28)13-25-14-23-19-12-17(27(30)31)7-8-18(19)22(25)29/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,24,28)