2-[[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(3,4-difluorophenyl)sulfonyl-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazino]methyl]-1H-quinazolin-4-one Formula: C19H18F2N4O3S MolecularWeight: 420.433026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C19H18F2N4O3S/c20-15-6-5-13(11-16(15)21)29(27,28)25-9-7-24(8-10-25)12-18-22-17-4-2-1-3-14(17)19(26)23-18/h1-6,11H,7-10,12H2,(H,22,23,26)