4-oxidanylidene-3-[3-oxidanylidene-3-[[3-(sulfamoylamino)phenyl]methylamino]propyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[3-oxidanylidene-3-[[3-(sulfamoylamino)phenyl]methylamino]propyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[3-oxo-3-[[3-(sulfamoylamino)phenyl]methylamino]propyl]phthalazin-1-olate CAS Name: 4-oxo-3-[3-oxo-3-[[3-(sulfamoylamino)phenyl]methylamino]propyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[3-oxo-3-[[3-(sulfamoylamino)phenyl]methylamino]propyl]phthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[[3-(sulfamoylamino)benzyl]amino]propyl]phthalazin-1-olate Formula: C18H18N5O5S- MolecularWeight: 416.43102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NCC3=CC(=CC=C3)NS(=O)(=O)N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NCC3=CC(=CC=C3)NS(=O)(=O)N)[O-]

InChI

InChI=1S/C18H19N5O5S/c19-29(27,28)22-13-5-3-4-12(10-13)11-20-16(24)8-9-23-18(26)15-7-2-1-6-14(15)17(25)21-23/h1-7,10,22H,8-9,11H2,(H,20,24)(H,21,25)(H2,19,27,28)/p-1