sodium 4-[(7-oxidanylidenebenzo[e]perimidin-6-yl)amino]benzenesulfonate

Systemtic Name: sodium 4-[(7-oxidanylidenebenzo[e]perimidin-6-yl)amino]benzenesulfonate Openeye Name: sodium 4-[(7-oxobenzo[e]perimidin-6-yl)amino]benzenesulfonate CAS Name: sodium 4-[(7-oxo-6-benzo[e]perimidinyl)amino]benzenesulfonate IUPAC Name: sodium 4-[(7-oxobenzo[e]perimidin-6-yl)amino]benzenesulfonate Traditional Name: sodium 4-[(7-ketobenzo[e]perimidin-6-yl)amino]besylate Formula: C21H12N3NaO4S MolecularWeight: 425.39245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=NC=NC4=C3C(=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-])C2=O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C3=NC=NC4=C3C(=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-])C2=O.[Na+]

InChI

InChI=1S/C21H13N3O4S.Na/c25-21-15-4-2-1-3-14(15)20-18-16(22-11-23-20)9-10-17(19(18)21)24-12-5-7-13(8-6-12)29(26,27)28;/h1-11,24H,(H,26,27,28);/q;+1/p-1