N,N-diethyl-1-methyl-5-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]pyrrole-3-sulfonamide

Systemtic Name: N,N-diethyl-1-methyl-5-[[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]carbamoyl]pyrrole-3-sulfonamide Openeye Name: N,N-diethyl-1-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]pyrrole-3-sulfonamide CAS Name: N,N-diethyl-1-methyl-5-[oxo-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]hydrazo]methyl]-3-pyrrolesulfonamide IUPAC Name: N,N-diethyl-1-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]carbamoyl]pyrrole-3-sulfonamide Traditional Name: N,N-diethyl-5-[[(4-keto-3H-phthalazine-1-carbonyl)amino]carbamoyl]-1-methyl-pyrrole-3-sulfonamide Formula: C19H22N6O5S MolecularWeight: 446.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C19H22N6O5S/c1-4-25(5-2)31(29,30)12-10-15(24(3)11-12)18(27)22-23-19(28)16-13-8-6-7-9-14(13)17(26)21-20-16/h6-11H,4-5H2,1-3H3,(H,21,26)(H,22,27)(H,23,28)