[2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H18ClN3O4S/c1-16(28)25-18-11-13-19(14-12-18)32(29,30)31-23-15-21(17-7-3-2-4-8-17)26-27(23)22-10-6-5-9-20(22)24/h2-15H,1H3,(H,25,28)