4-[[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzenesulfonamide Openeye Name: 4-[[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzenesulfonamide CAS Name: 4-[[4-(4-oxo-1-cyclohexa-2,5-dienylidene)-3H-phthalazin-1-yl]amino]benzenesulfonamide IUPAC Name: 4-[[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzenesulfonamide Traditional Name: 4-[[4-(4-ketocyclohexa-2,5-dien-1-ylidene)-3H-phthalazin-1-yl]amino]benzenesulfonamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NN=C2NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)NN=C2NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H16N4O3S/c21-28(26,27)16-11-7-14(8-12-16)22-20-18-4-2-1-3-17(18)19(23-24-20)13-5-9-15(25)10-6-13/h1-12,23H,(H,22,24)(H2,21,26,27)