N-(furan-2-ylmethyl)-4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzenesulfonamide Openeye Name: N-(2-furylmethyl)-4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzenesulfonamide CAS Name: N-(2-furanylmethyl)-4-[(1E)-1-(1-phthalazinylhydrazinylidene)ethyl]benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzenesulfonamide Traditional Name: N-(2-furfuryl)-4-[(E)-C-methyl-N-(phthalazin-1-ylamino)carbonimidoyl]benzenesulfonamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NN=CC2=CC=CC=C21)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C/C(=N\NC1=NN=CC2=CC=CC=C21)/C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H19N5O3S/c1-15(24-26-21-20-7-3-2-5-17(20)13-22-25-21)16-8-10-19(11-9-16)30(27,28)23-14-18-6-4-12-29-18/h2-13,23H,14H2,1H3,(H,25,26)/b24-15+