2-[4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one Openeye Name: 2-[4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-4-oxo-butyl]-1H-quinazolin-4-one CAS Name: 2-[4-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-4-oxobutyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-1H-quinazolin-4-one Traditional Name: 2-[4-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-4-keto-butyl]-1H-quinazolin-4-one Formula: C22H22ClFN4O4S MolecularWeight: 492.950883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H22ClFN4O4S/c23-17-14-15(8-9-18(17)24)33(31,32)28-12-10-27(11-13-28)21(29)7-3-6-20-25-19-5-2-1-4-16(19)22(30)26-20/h1-2,4-5,8-9,14H,3,6-7,10-13H2,(H,25,26,30)