N-[3-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]propane-1-sulfonamide

Systemtic Name: N-[3-[[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]phenyl]propane-1-sulfonamide Openeye Name: N-[3-[[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]propane-1-sulfonamide CAS Name: N-[3-[[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-1-propanesulfonamide IUPAC Name: N-[3-[[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]phenyl]propane-1-sulfonamide Traditional Name: N-[3-[[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]carbamoyl]phenyl]propane-1-sulfonamide Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

Isomeric SMILES

CCCS(=O)(=O)NC1=CC=CC(=C1)C(=O)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

InChI

InChI=1S/C21H23N5O5S/c1-3-12-32(30,31)25-15-9-7-8-14(13-15)19(27)22-23-20(28)18-16-10-5-6-11-17(16)21(29)26(4-2)24-18/h5-11,13,25H,3-4,12H2,1-2H3,(H,22,27)(H,23,28)