(6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl) methanesulfonate

Systemtic Name: (6-oxidanylidene-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl) methanesulfonate Openeye Name: (6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl) methanesulfonate CAS Name: methanesulfonic acid (6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl) ester IUPAC Name: (6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl) methanesulfonate Traditional Name: methanesulfonic acid (6-keto-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl) ester Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=C1)NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C14H12N2O4S/c1-21(18,19)20-9-6-7-12-13(8-9)16-14(17)10-4-2-3-5-11(10)15-12/h2-8,15H,1H3,(H,16,17)