2-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]propan-2-yl hydrogen sulfate

Systemtic Name: 2-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]propan-2-yl hydrogen sulfate Openeye Name: [1-methyl-1-[4-[(3-pyridylsulfonylamino)methyl]phenyl]ethyl] hydrogen sulfate CAS Name: sulfuric acid 2-[4-[(3-pyridinylsulfonylamino)methyl]phenyl]propan-2-yl ester IUPAC Name: 2-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]propan-2-yl hydrogen sulfate Traditional Name: sulfuric acid [1-methyl-1-[4-[(3-pyridylsulfonylamino)methyl]phenyl]ethyl] ester Formula: C15H18N2O6S2 MolecularWeight: 386.44322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CNS(=O)(=O)C2=CN=CC=C2)OS(=O)(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CNS(=O)(=O)C2=CN=CC=C2)OS(=O)(=O)O

InChI

InChI=1S/C15H18N2O6S2/c1-15(2,23-25(20,21)22)13-7-5-12(6-8-13)10-17-24(18,19)14-4-3-9-16-11-14/h3-9,11,17H,10H2,1-2H3,(H,20,21,22)