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

Systemtic Name: [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-methyl-2-[2-(2-naphthyloxy)ethyl]pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-methyl-2-[2-(2-naphthalenyloxy)ethyl]-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-methyl-2-[2-(2-naphthoxy)ethyl]pyrazol-3-yl] ester Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2CCOC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2CCOC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H22N2O4S/c1-17-7-11-22(12-8-17)30(26,27)29-23-15-18(2)24-25(23)13-14-28-21-10-9-19-5-3-4-6-20(19)16-21/h3-12,15-16H,13-14H2,1-2H3