phenyl 4-chloranyl-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate

Systemtic Name: phenyl 4-chloranyl-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate Openeye Name: phenyl 4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-benzoate CAS Name: 4-chloro-3-[[(2S,6S)-2,6-dimethyl-4-morpholinyl]sulfonyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(2S,6S)-2,6-dimethylmorpholino]sulfonyl-benzoic acid phenyl ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO5S/c1-13-11-21(12-14(2)25-13)27(23,24)18-10-15(8-9-17(18)20)19(22)26-16-6-4-3-5-7-16/h3-10,13-14H,11-12H2,1-2H3/t13-,14-/m0/s1