N-[(4-fluorophenyl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-[6-[(4-methyl-1-piperidyl)sulfonyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[6-[(4-methyl-1-piperidinyl)sulfonyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[6-(4-methylpiperidin-1-yl)sulfonyl-4-oxoquinazolin-3-yl]acetamide Traditional Name: N-(4-fluorobenzyl)-2-[4-keto-6-(4-methylpiperidino)sulfonyl-quinazolin-3-yl]acetamide Formula: C23H25FN4O4S MolecularWeight: 472.532403

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O4S/c1-16-8-10-28(11-9-16)33(31,32)19-6-7-21-20(12-19)23(30)27(15-26-21)14-22(29)25-13-17-2-4-18(24)5-3-17/h2-7,12,15-16H,8-11,13-14H2,1H3,(H,25,29)