N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-ketoquinazolin-3-yl)propionamide Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H26N4O4S/c28-22(13-16-26-17-24-21-8-4-3-7-20(21)23(26)29)25-18-9-11-19(12-10-18)32(30,31)27-14-5-1-2-6-15-27/h3-4,7-12,17H,1-2,5-6,13-16H2,(H,25,28)