[6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] methanesulfonate

Systemtic Name: [6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] methanesulfonate Openeye Name: [6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] methanesulfonate CAS Name: methanesulfonic acid [6-(4-methyl-1-piperazinyl)-8-benzo[b][1,4]benzoxazepinyl] ester IUPAC Name: [6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-(4-methylpiperazino)benzo[b][1,4]benzoxazepin-8-yl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C19H21N3O4S/c1-21-9-11-22(12-10-21)19-15-13-14(26-27(2,23)24)7-8-17(15)25-18-6-4-3-5-16(18)20-19/h3-8,13H,9-12H2,1-2H3