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

Systemtic Name: 2-[(1R)-1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]ethyl]-1H-quinazolin-4-one Formula: C20H20ClFN4O3S MolecularWeight: 450.914203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H20ClFN4O3S/c1-13(19-23-18-5-3-2-4-15(18)20(27)24-19)25-8-10-26(11-9-25)30(28,29)14-6-7-17(22)16(21)12-14/h2-7,12-13H,8-11H2,1H3,(H,23,24,27)/t13-/m1/s1