4-methyl-7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 4-methyl-7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-methyl-7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine CAS Name: 4-methyl-7-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-methyl-7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-methyl-7-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]sulfonyl-2,3-dihydro-1,4-benzoxazine Formula: C20H21F3N4O5S MolecularWeight: 486.46475

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CCOC2=C1C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21F3N4O5S/c1-24-10-11-32-19-13-15(3-5-17(19)24)33(30,31)26-8-6-25(7-9-26)16-4-2-14(20(21,22)23)12-18(16)27(28)29/h2-5,12-13H,6-11H2,1H3