3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methyl-4-oxidanylidene-quinazolin-3-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methyl-4-oxo-quinazolin-3-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-methoxy-N-(2-methyl-4-oxo-3-quinazolinyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-keto-2-methyl-quinazolin-3-yl)-4-methoxy-benzamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O5S/c1-16-24-19-10-6-5-9-18(19)23(29)27(16)25-22(28)17-11-12-20(32-2)21(15-17)33(30,31)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,25,28)