[6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepin-3-yl] methanesulfonate

Systemtic Name: [6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepin-3-yl] methanesulfonate Openeye Name: [6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [6-(4-methyl-1-piperazinyl)-5H-benzo[b][1,4]benzodiazepin-3-yl] ester IUPAC Name: [6-(4-methylpiperazin-1-yl)-5H-benzo[b][1,4]benzodiazepin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [6-(4-methylpiperazino)-5H-benzo[b][1,4]benzodiazepin-3-yl] ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C19H22N4O3S/c1-22-9-11-23(12-10-22)19-15-5-3-4-6-16(15)20-17-8-7-14(13-18(17)21-19)26-27(2,24)25/h3-8,13,21H,9-12H2,1-2H3