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

Systemtic Name: [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] benzenesulfonate Openeye Name: [5-methyl-2-[2-(2-naphthyloxy)ethyl]pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5-methyl-2-[2-(2-naphthalenyloxy)ethyl]-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(2-naphthalen-2-yloxyethyl)pyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-methyl-2-[2-(2-naphthoxy)ethyl]pyrazol-3-yl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-17-15-22(28-29(25,26)21-9-3-2-4-10-21)24(23-17)13-14-27-20-12-11-18-7-5-6-8-19(18)16-20/h2-12,15-16H,13-14H2,1H3