4-methyl-2-(3-pyrimidin-5-ylpropyl)benzenesulfonate

Systemtic Name: 4-methyl-2-(3-pyrimidin-5-ylpropyl)benzenesulfonate Openeye Name: 4-methyl-2-(3-pyrimidin-5-ylpropyl)benzenesulfonate CAS Name: 4-methyl-2-[3-(5-pyrimidinyl)propyl]benzenesulfonate IUPAC Name: 4-methyl-2-(3-pyrimidin-5-ylpropyl)benzenesulfonate Traditional Name: 4-methyl-2-[3-(5-pyrimidyl)propyl]besylate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCC2=CN=CN=C2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CCCC2=CN=CN=C2

InChI

InChI=1S/C14H16N2O3S/c1-11-5-6-14(20(17,18)19)13(7-11)4-2-3-12-8-15-10-16-9-12/h5-10H,2-4H2,1H3,(H,17,18,19)/p-1