N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C25H30N4O4S/c1-18-14-19(2)16-29(15-18)34(32,33)21-11-9-20(10-12-21)27-24(30)8-5-13-28-17-26-23-7-4-3-6-22(23)25(28)31/h3-4,6-7,9-12,17-19H,5,8,13-16H2,1-2H3,(H,27,30)