[4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [4-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H23N3O5S/c1-16-9-10-17(2)22(15-16)34(31,32)28(4)18-11-13-19(14-12-18)33-25(30)23-20-7-5-6-8-21(20)24(29)27(3)26-23/h5-15H,1-4H3