(1E)-1-[(3R,4S)-3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenyl-azetidin-2-ylidene]pentan-2-one

Systemtic Name: (1E)-1-[(3R,4S)-3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenyl-azetidin-2-ylidene]pentan-2-one Openeye Name: (1E)-1-[(3R,4S)-3-ethyl-4-phenyl-1-(p-tolylsulfonyl)azetidin-2-ylidene]pentan-2-one CAS Name: (1E)-1-[(3R,4S)-3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2-azetidinylidene]-2-pentanone IUPAC Name: (1E)-1-[(3R,4S)-3-ethyl-1-(4-methylphenyl)sulfonyl-4-phenylazetidin-2-ylidene]pentan-2-one Traditional Name: (1E)-1-[(3R,4S)-3-ethyl-4-phenyl-1-tosyl-azetidin-2-ylidene]pentan-2-one Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C=C1C(C(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)CC

Isomeric SMILES

CCCC(=O)/C=C/1\[C@@H]([C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)CC

InChI

InChI=1S/C23H27NO3S/c1-4-9-19(25)16-22-21(5-2)23(18-10-7-6-8-11-18)24(22)28(26,27)20-14-12-17(3)13-15-20/h6-8,10-16,21,23H,4-5,9H2,1-3H3/b22-16+/t21-,23+/m0/s1