methyl 4-[(4-methylphenyl)sulfonylcarbamoyl]phthalazine-1-carboxylate

Systemtic Name: methyl 4-[(4-methylphenyl)sulfonylcarbamoyl]phthalazine-1-carboxylate Openeye Name: methyl 4-(p-tolylsulfonylcarbamoyl)phthalazine-1-carboxylate CAS Name: 4-[[(4-methylphenyl)sulfonylamino]-oxomethyl]-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-methylphenyl)sulfonylcarbamoyl]phthalazine-1-carboxylate Traditional Name: 4-(tosylcarbamoyl)phthalazine-1-carboxylic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=NN=C(C3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=NN=C(C3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C18H15N3O5S/c1-11-7-9-12(10-8-11)27(24,25)21-17(22)15-13-5-3-4-6-14(13)16(20-19-15)18(23)26-2/h3-10H,1-2H3,(H,21,22)