7-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-4H-1,4-benzoxazin-3-one Openeye Name: 7-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one CAS Name: 7-[[4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one Traditional Name: 7-[4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one Formula: C19H17F2N3O5S MolecularWeight: 437.417186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=C2)NC(=O)CO3)S(=O)(=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=C2)NC(=O)CO3)S(=O)(=O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C19H17F2N3O5S/c20-13-2-3-14(21)17(10-13)30(27,28)24-7-5-23(6-8-24)19(26)12-1-4-15-16(9-12)29-11-18(25)22-15/h1-4,9-10H,5-8,11H2,(H,22,25)