[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-methoxy-3-[[(2R)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-3-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2R)-2-methylpiperidino]sulfonyl-benzoic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4)OC

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCC(=N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H29N3O6S/c1-18-8-6-7-14-28(18)35(31,32)23-16-20(11-12-22(23)33-2)25(30)34-17-24(29)27-15-13-21(26-27)19-9-4-3-5-10-19/h3-5,9-12,16,18H,6-8,13-15,17H2,1-2H3/t18-/m1/s1