N-cyclopropyl-4-methyl-3-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-methyl-3-[[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N-cyclopropyl-4-methyl-3-[[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N-cyclopropyl-4-methyl-3-[[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-methyl-3-[[(3-methyl-4-oxophthalazine-1-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-cyclopropyl-3-[[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]carbamoyl]-4-methyl-benzenesulfonamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H21N5O5S/c1-12-7-10-14(32(30,31)25-13-8-9-13)11-17(12)19(27)22-23-20(28)18-15-5-3-4-6-16(15)21(29)26(2)24-18/h3-7,10-11,13,25H,8-9H2,1-2H3,(H,22,27)(H,23,28)