(2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenethyl-3-[(E)-prop-1-enyl]pyrrolidine

Systemtic Name: (2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenethyl-3-[(E)-prop-1-enyl]pyrrolidine Openeye Name: (2S,3S)-2-phenethyl-3-[(E)-prop-1-enyl]-1-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenethyl-3-[(E)-prop-1-enyl]pyrrolidine IUPAC Name: (2S,3S)-1-(4-methylphenyl)sulfonyl-2-phenethyl-3-[(E)-prop-1-enyl]pyrrolidine Traditional Name: (2S,3S)-2-phenethyl-3-[(E)-prop-1-enyl]-1-tosyl-pyrrolidine Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1CCN(C1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

C/C=C/[C@@H]1CCN([C@H]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27NO2S/c1-3-7-20-16-17-23(22(20)15-12-19-8-5-4-6-9-19)26(24,25)21-13-10-18(2)11-14-21/h3-11,13-14,20,22H,12,15-17H2,1-2H3/b7-3+/t20-,22+/m1/s1