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

Systemtic Name: (2S,3S)-2-heptyl-1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]pyrrolidine Openeye Name: (2S,3S)-2-heptyl-3-[(E)-prop-1-enyl]-1-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3S)-2-heptyl-1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]pyrrolidine IUPAC Name: (2S,3S)-2-heptyl-1-(4-methylphenyl)sulfonyl-3-[(E)-prop-1-enyl]pyrrolidine Traditional Name: (2S,3S)-2-heptyl-3-[(E)-prop-1-enyl]-1-tosyl-pyrrolidine Formula: C21H33NO2S MolecularWeight: 363.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C=CC

Isomeric SMILES

CCCCCCC[C@H]1[C@@H](CCN1S(=O)(=O)C2=CC=C(C=C2)C)/C=C/C

InChI

InChI=1S/C21H33NO2S/c1-4-6-7-8-9-11-21-19(10-5-2)16-17-22(21)25(23,24)20-14-12-18(3)13-15-20/h5,10,12-15,19,21H,4,6-9,11,16-17H2,1-3H3/b10-5+/t19-,21+/m1/s1