4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 4-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C21H19N5O5S MolecularWeight: 453.47106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H19N5O5S/c1-3-13-22-32(30,31)15-11-9-14(10-12-15)19(27)23-24-20(28)18-16-7-5-6-8-17(16)21(29)26(4-2)25-18/h1,5-12,22H,4,13H2,2H3,(H,23,27)(H,24,28)