2-[4-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-pyrazol-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[4-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenyl-pyrazol-3-yl]ethyl methanesulfonate Openeye Name: 2-[5-(tert-butoxycarbonylamino)-4-cyano-1-phenyl-pyrazol-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-cyano-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-phenyl-3-pyrazolyl]ethyl ester IUPAC Name: 2-[4-cyano-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpyrazol-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[5-(tert-butoxycarbonylamino)-4-cyano-1-phenyl-pyrazol-3-yl]ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=NN1C2=CC=CC=C2)CCOS(=O)(=O)C)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=NN1C2=CC=CC=C2)CCOS(=O)(=O)C)C#N

InChI

InChI=1S/C18H22N4O5S/c1-18(2,3)27-17(23)20-16-14(12-19)15(10-11-26-28(4,24)25)21-22(16)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,20,23)