3-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylmethoxy-pyrrolidin-2-yl]but-3-en-2-one

Systemtic Name: 3-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylmethoxy-pyrrolidin-2-yl]but-3-en-2-one Openeye Name: 3-[(2R,3S)-3-benzyloxy-1-(p-tolylsulfonyl)pyrrolidin-2-yl]but-3-en-2-one CAS Name: 3-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylmethoxy-2-pyrrolidinyl]-3-buten-2-one IUPAC Name: 3-[(2R,3S)-1-(4-methylphenyl)sulfonyl-3-phenylmethoxypyrrolidin-2-yl]but-3-en-2-one Traditional Name: 3-[(2R,3S)-3-benzoxy-1-tosyl-pyrrolidin-2-yl]but-3-en-2-one Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2C(=C)C(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@H]2C(=C)C(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4S/c1-16-9-11-20(12-10-16)28(25,26)23-14-13-21(22(23)17(2)18(3)24)27-15-19-7-5-4-6-8-19/h4-12,21-22H,2,13-15H2,1,3H3/t21-,22+/m0/s1