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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

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