(2S,3R)-3-[(1S)-1-chloranylpropyl]-2-heptyl-1-(4-methylphenyl)sulfonyl-pyrrolidine

Systemtic Name: (2S,3R)-3-[(1S)-1-chloranylpropyl]-2-heptyl-1-(4-methylphenyl)sulfonyl-pyrrolidine Openeye Name: (2S,3R)-3-[(1S)-1-chloropropyl]-2-heptyl-1-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3R)-3-[(1S)-1-chloropropyl]-2-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine IUPAC Name: (2S,3R)-3-[(1S)-1-chloropropyl]-2-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine Traditional Name: (2S,3R)-3-[(1S)-1-chloropropyl]-2-heptyl-1-tosyl-pyrrolidine Formula: C21H34ClNO2S MolecularWeight: 400.01816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34ClNO2S/c1-4-6-7-8-9-10-21-19(20(22)5-2)15-16-23(21)26(24,25)18-13-11-17(3)12-14-18/h11-14,19-21H,4-10,15-16H2,1-3H3/t19-,20-,21-/m0/s1