(3-methyl-4-propan-2-yl-phenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate CAS Name: 4-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-[(2S,6S)-2,6-dimethylmorpholino]sulfonylbenzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(C)C)C

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(C)C)C

InChI

InChI=1S/C23H29NO5S/c1-15(2)22-11-8-20(12-16(22)3)29-23(25)19-6-9-21(10-7-19)30(26,27)24-13-17(4)28-18(5)14-24/h6-12,15,17-18H,13-14H2,1-5H3/t17-,18-/m0/s1