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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitro-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(6-nitro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-keto-6-nitro-quinazolin-3-yl)acetamide Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O6S/c28-21(14-25-15-23-20-9-8-17(27(30)31)13-19(20)22(25)29)24-16-6-5-7-18(12-16)34(32,33)26-10-3-1-2-4-11-26/h5-9,12-13,15H,1-4,10-11,14H2,(H,24,28)