(2E)-2-[(3R,4S)-3-butyl-1-(4-methylphenyl)sulfonyl-4-phenyl-azetidin-2-ylidene]-1-phenyl-ethanone

Systemtic Name: (2E)-2-[(3R,4S)-3-butyl-1-(4-methylphenyl)sulfonyl-4-phenyl-azetidin-2-ylidene]-1-phenyl-ethanone Openeye Name: (2E)-2-[(3R,4S)-3-butyl-4-phenyl-1-(p-tolylsulfonyl)azetidin-2-ylidene]-1-phenyl-ethanone CAS Name: (2E)-2-[(3R,4S)-3-butyl-1-(4-methylphenyl)sulfonyl-4-phenyl-2-azetidinylidene]-1-phenylethanone IUPAC Name: (2E)-2-[(3R,4S)-3-butyl-1-(4-methylphenyl)sulfonyl-4-phenylazetidin-2-ylidene]-1-phenylethanone Traditional Name: (2E)-2-[(3R,4S)-3-butyl-4-phenyl-1-tosyl-azetidin-2-ylidene]-1-phenyl-ethanone Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(N(C1=CC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCCC[C@@H]\1[C@H](N(/C1=C/C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C28H29NO3S/c1-3-4-15-25-26(20-27(30)22-11-7-5-8-12-22)29(28(25)23-13-9-6-10-14-23)33(31,32)24-18-16-21(2)17-19-24/h5-14,16-20,25,28H,3-4,15H2,1-2H3/b26-20+/t25-,28+/m0/s1