(1-phenylpyrazol-4-yl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 3-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5S/c1-17-13-25(14-18(2)31-17)32(28,29)22-10-6-7-20(11-22)23(27)30-16-19-12-24-26(15-19)21-8-4-3-5-9-21/h3-12,15,17-18H,13-14,16H2,1-2H3/t17-,18-/m0/s1