[2-(4-methoxyphenyl)carbonyl-3-methyl-butyl] pyrazole-1-sulfonate

Systemtic Name: [2-(4-methoxyphenyl)carbonyl-3-methyl-butyl] pyrazole-1-sulfonate Openeye Name: [2-(4-methoxybenzoyl)-3-methyl-butyl] pyrazole-1-sulfonate CAS Name: 1-pyrazolesulfonic acid [2-[(4-methoxyphenyl)-oxomethyl]-3-methylbutyl] ester IUPAC Name: [2-(4-methoxybenzoyl)-3-methylbutyl] pyrazole-1-sulfonate Traditional Name: pyrazole-1-sulfonic acid (3-methyl-2-p-anisoyl-butyl) ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COS(=O)(=O)N1C=CC=N1)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(COS(=O)(=O)N1C=CC=N1)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H20N2O5S/c1-12(2)15(11-23-24(20,21)18-10-4-9-17-18)16(19)13-5-7-14(22-3)8-6-13/h4-10,12,15H,11H2,1-3H3