N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-4-oxo-quinazolin-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(3-methyl-4-oxo-2-quinazolinyl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-keto-3-methyl-quinazolin-2-yl)propionamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-27-22(26-21-12-5-4-11-20(21)24(27)30)13-14-23(29)25-18-9-8-10-19(17-18)33(31,32)28-15-6-2-3-7-16-28/h4-5,8-12,17H,2-3,6-7,13-16H2,1H3,(H,25,29)