[5-(methoxymethyl)-2-(4-methylphenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [5-(methoxymethyl)-2-(4-methylphenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [5-(methoxymethyl)-2-(p-tolyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [5-(methoxymethyl)-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-(methoxymethyl)-2-(4-methylphenyl)pyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [5-(methoxymethyl)-2-(p-tolyl)pyrazol-3-yl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)COC)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)COC)OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H21N3O5S/c1-14-4-8-18(9-5-14)23-20(12-17(22-23)13-27-3)28-29(25,26)19-10-6-16(7-11-19)21-15(2)24/h4-12H,13H2,1-3H3,(H,21,24)