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

Systemtic Name: [2-methyl-2-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]propyl] hydrogen sulfate Openeye Name: [2-methyl-2-[4-[(3-pyridylsulfonylamino)methyl]phenyl]propyl] hydrogen sulfate CAS Name: sulfuric acid [2-methyl-2-[4-[(3-pyridinylsulfonylamino)methyl]phenyl]propyl] ester IUPAC Name: [2-methyl-2-[4-[(pyridin-3-ylsulfonylamino)methyl]phenyl]propyl] hydrogen sulfate Traditional Name: sulfuric acid [2-methyl-2-[4-[(3-pyridylsulfonylamino)methyl]phenyl]propyl] ester Formula: C16H20N2O6S2 MolecularWeight: 400.4698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6S2/c1-16(2,12-24-26(21,22)23)14-7-5-13(6-8-14)10-18-25(19,20)15-4-3-9-17-11-15/h3-9,11,18H,10,12H2,1-2H3,(H,21,22,23)