(1-phenylpyrazol-4-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O4S/c23-21-10-9-19(31(28,29)25-11-5-2-6-12-25)13-20(21)22(27)30-16-17-14-24-26(15-17)18-7-3-1-4-8-18/h1,3-4,7-10,13-15H,2,5-6,11-12,16H2