[4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] benzenesulfonate

Systemtic Name: [4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazono]methyl]-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[(E)-[[2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[(E)-[(2,6-dipyrrolidinopyrimidin-4-yl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C26H30N6O4S MolecularWeight: 522.6192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC2=NC(=NC(=C2)N3CCCC3)N4CCCC4)OS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC2=NC(=NC(=C2)N3CCCC3)N4CCCC4)OS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H30N6O4S/c1-35-23-17-20(11-12-22(23)36-37(33,34)21-9-3-2-4-10-21)19-27-30-24-18-25(31-13-5-6-14-31)29-26(28-24)32-15-7-8-16-32/h2-4,9-12,17-19H,5-8,13-16H2,1H3,(H,28,29,30)/b27-19+