4-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-11-yl)butane-1-sulfonate

Systemtic Name: 4-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-11-yl)butane-1-sulfonate Openeye Name: 4-(5-methyl-6-oxo-benzo[b][1,4]benzodiazepin-11-yl)butane-1-sulfonate CAS Name: 4-(5-methyl-6-oxo-11-benzo[b][1,4]benzodiazepinyl)-1-butanesulfonate IUPAC Name: 4-(5-methyl-6-oxobenzo[b][1,4]benzodiazepin-11-yl)butane-1-sulfonate Traditional Name: 4-(6-keto-5-methyl-benzo[b][1,4]benzodiazepin-11-yl)butane-1-sulfonate Formula: C18H19N2O4S- MolecularWeight: 359.41946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-19-16-10-4-5-11-17(16)20(12-6-7-13-25(22,23)24)15-9-3-2-8-14(15)18(19)21/h2-5,8-11H,6-7,12-13H2,1H3,(H,22,23,24)/p-1