1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H21N3O4S/c1-12-16(13(2)20(18-12)15-6-4-3-5-7-15)25(23,24)19-10-8-14(9-11-19)17(21)22/h3-7,14H,8-11H2,1-2H3,(H,21,22)