(4-pyrazol-1-ylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H25N3O4S/c1-18-6-11-21(31(28,29)25-13-3-2-4-14-25)16-22(18)23(27)30-17-19-7-9-20(10-8-19)26-15-5-12-24-26/h5-12,15-16H,2-4,13-14,17H2,1H3