3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-methoxy-3-piperidinosulfonyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H19N3O5S/c1-24-14-6-5-11(12-10-13(16(20)21)18-17-12)9-15(14)25(22,23)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)(H,20,21)