N-[5,5-bis(oxidanidyl)-6H-benzo[c][1,2]benzothiazin-9-yl]quinoxaline-6-carboxamide

Systemtic Name: N-[5,5-bis(oxidanidyl)-6H-benzo[c][1,2]benzothiazin-9-yl]quinoxaline-6-carboxamide Openeye Name: N-(5,5-dioxido-6H-benzo[c][1,2]benzothiazin-9-yl)quinoxaline-6-carboxamide CAS Name: N-(5,5-dioxido-6H-benzo[c][1,2]benzothiazin-9-yl)-6-quinoxalinecarboxamide IUPAC Name: N-(5,5-dioxido-6H-benzo[c][1,2]benzothiazin-9-yl)quinoxaline-6-carboxamide Traditional Name: N-(5,5-dioxido-6H-benzo[c][1,2]benzothiazin-9-yl)quinoxaline-6-carboxamide Formula: C21H14N4O3S-2 MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C=CC(=C3)NC(=O)C4=CC5=NC=CN=C5C=C4)NS2([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C=CC(=C3)NC(=O)C4=CC5=NC=CN=C5C=C4)NS2([O-])[O-]

InChI

InChI=1S/C21H16N4O3S/c26-21(13-5-7-18-19(11-13)23-10-9-22-18)24-14-6-8-17-16(12-14)15-3-1-2-4-20(15)29(27,28)25-17/h1-12,25,27-28H,(H,24,26)/p-2