[6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-9-yl] methanesulfonate

Systemtic Name: [6,11-bis(oxidanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-9-yl] methanesulfonate Openeye Name: (6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-9-yl) methanesulfonate CAS Name: methanesulfonic acid (6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-9-yl) ester IUPAC Name: (6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-9-yl) methanesulfonate Traditional Name: methanesulfonic acid (6,11-diketo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-9-yl) ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCC2N1C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

CS(=O)(=O)OC1CCC2N1C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C13H14N2O5S/c1-21(18,19)20-11-7-6-10-12(16)14-9-5-3-2-4-8(9)13(17)15(10)11/h2-5,10-11H,6-7H2,1H3,(H,14,16)