ethyl 4-(4-chloranylsulfonylphenyl)-3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-(4-chloranylsulfonylphenyl)-3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-(4-chlorosulfonylphenyl)-3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 4-(4-chlorosulfonylphenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorosulfonylphenyl)-3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 4-(4-chlorosulfonylphenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)Cl

InChI

InChI=1S/C18H15ClN2O4S/c1-2-25-18(22)17-15(12-8-10-14(11-9-12)26(19,23)24)16(20-21-17)13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,20,21)