methyl 3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: methyl 3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: methyl 3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]-4-oxo-1-phthalazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]-4-keto-phthalazine-1-carboxylic acid methyl ester Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)OC

InChI

InChI=1S/C25H30N4O5S/c1-25(2,3)18-9-11-19(12-10-18)35(32,33)28-15-13-27(14-16-28)17-29-23(30)21-8-6-5-7-20(21)22(26-29)24(31)34-4/h5-12H,13-17H2,1-4H3