methyl 1-(3-phenyl-1-propan-2-yl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(3-phenyl-1-propan-2-yl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(1-isopropyl-3-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(3-phenyl-1-propan-2-yl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-phenyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-isopropyl-3-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)N1C=C(C(=N1)C2=CC=CC=C2)S(=O)(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-14(2)22-13-17(18(20-22)15-7-5-4-6-8-15)27(24,25)21-11-9-16(10-12-21)19(23)26-3/h4-8,13-14,16H,9-12H2,1-3H3