(4-pyrazol-1-ylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H15ClN2O4S MolecularWeight: 390.8407

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H15ClN2O4S/c1-26(23,24)15-7-8-17(19)16(11-15)18(22)25-12-13-3-5-14(6-4-13)21-10-2-9-20-21/h2-11H,12H2,1H3