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

Systemtic Name: 4-[[(4-oxidanylidene-3-pentyl-phthalazin-1-yl)carbonylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 4-[[(4-oxo-3-pentyl-phthalazine-1-carbonyl)amino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 4-[oxo-[[oxo-(4-oxo-3-pentyl-1-phthalazinyl)methyl]hydrazo]methyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 4-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 4-[[(3-amyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C24H25N5O5S MolecularWeight: 495.5508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C24H25N5O5S/c1-3-5-8-16-29-24(32)20-10-7-6-9-19(20)21(28-29)23(31)27-26-22(30)17-11-13-18(14-12-17)35(33,34)25-15-4-2/h2,6-7,9-14,25H,3,5,8,15-16H2,1H3,(H,26,30)(H,27,31)