N-[2-methyl-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-methyl-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-methyl-4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-methyl-4-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-(4-keto-2-methyl-quinazolin-3-yl)-2-methyl-phenyl]-4-nitro-benzenesulfonamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)C)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=NC3=CC=CC=C3C2=O)C)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-14-13-17(25-15(2)23-21-6-4-3-5-19(21)22(25)27)9-12-20(14)24-32(30,31)18-10-7-16(8-11-18)26(28)29/h3-13,24H,1-2H3