6-nitro-7-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1H-quinazolin-4-one

Systemtic Name: 6-nitro-7-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1H-quinazolin-4-one Openeye Name: 6-nitro-7-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1H-quinazolin-4-one CAS Name: 6-nitro-7-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1H-quinazolin-4-one IUPAC Name: 6-nitro-7-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1H-quinazolin-4-one Traditional Name: 6-nitro-7-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]-1H-quinazolin-4-one Formula: C19H16F3N5O5S MolecularWeight: 483.42105

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H16F3N5O5S/c20-19(21,22)12-2-1-3-13(8-12)33(31,32)26-6-4-25(5-7-26)16-10-15-14(9-17(16)27(29)30)18(28)24-11-23-15/h1-3,8-11H,4-7H2,(H,23,24,28)