(4-pyrazol-1-ylphenyl)methyl 3-(2-methylpropylsulfonyl)propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-(2-methylpropylsulfonyl)propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-isobutylsulfonylpropanoate CAS Name: 3-(2-methylpropylsulfonyl)propanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-(2-methylpropylsulfonyl)propanoate Traditional Name: 3-isobutylsulfonylpropionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)CCC(=O)OCC1=CC=C(C=C1)N2C=CC=N2

Isomeric SMILES

CC(C)CS(=O)(=O)CCC(=O)OCC1=CC=C(C=C1)N2C=CC=N2

InChI

InChI=1S/C17H22N2O4S/c1-14(2)13-24(21,22)11-8-17(20)23-12-15-4-6-16(7-5-15)19-10-3-9-18-19/h3-7,9-10,14H,8,11-13H2,1-2H3