9-methoxy-6-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-6-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Openeye Name: 9-methoxy-6-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-(4-methylsulfonyl-1-piperazinyl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-6-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-mesylpiperazino)-9-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC3=C(O2)C=CC(=C3)C(F)(F)F)N4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC3=C(O2)C=CC(=C3)C(F)(F)F)N4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C20H20F3N3O4S/c1-29-14-4-5-15-18(12-14)30-17-6-3-13(20(21,22)23)11-16(17)24-19(15)25-7-9-26(10-8-25)31(2,27)28/h3-6,11-12H,7-10H2,1-2H3