[5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [5-methyl-2-[2-(2-naphthyloxy)ethyl]pyrazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [5-methyl-2-[2-(2-naphthalenyloxy)ethyl]-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [5-methyl-2-[2-(2-naphthoxy)ethyl]pyrazol-3-yl] ester Formula: C22H19ClN2O4S MolecularWeight: 442.91526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)CCOC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)Cl)CCOC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19ClN2O4S/c1-16-14-22(29-30(26,27)21-10-7-19(23)8-11-21)25(24-16)12-13-28-20-9-6-17-4-2-3-5-18(17)15-20/h2-11,14-15H,12-13H2,1H3