9-methoxy-6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine

Systemtic Name: 9-methoxy-6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Openeye Name: 6-(4-isopropylsulfonylpiperazin-1-yl)-9-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine CAS Name: 9-methoxy-6-(4-propan-2-ylsulfonyl-1-piperazinyl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine IUPAC Name: 9-methoxy-6-(4-propan-2-ylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Traditional Name: 6-(4-isopropylsulfonylpiperazino)-9-methoxy-3-(trifluoromethyl)benzo[b][1,4]benzoxazepine Formula: C22H24F3N3O4S MolecularWeight: 483.50387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)OC4=C2C=CC(=C4)OC

Isomeric SMILES

CC(C)S(=O)(=O)N1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)OC4=C2C=CC(=C4)OC

InChI

InChI=1S/C22H24F3N3O4S/c1-14(2)33(29,30)28-10-8-27(9-11-28)21-17-6-5-16(31-3)13-20(17)32-19-7-4-15(22(23,24)25)12-18(19)26-21/h4-7,12-14H,8-11H2,1-3H3