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

Systemtic Name: (2S,3R)-3-[(1S)-1-chloranylethyl]-2-heptyl-1-(4-methylphenyl)sulfonyl-pyrrolidine Openeye Name: (2S,3R)-3-[(1S)-1-chloroethyl]-2-heptyl-1-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3R)-3-[(1S)-1-chloroethyl]-2-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine IUPAC Name: (2S,3R)-3-[(1S)-1-chloroethyl]-2-heptyl-1-(4-methylphenyl)sulfonylpyrrolidine Traditional Name: (2S,3R)-3-[(1S)-1-chloroethyl]-2-heptyl-1-tosyl-pyrrolidine Formula: C20H32ClNO2S MolecularWeight: 385.99158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32ClNO2S/c1-4-5-6-7-8-9-20-19(17(3)21)14-15-22(20)25(23,24)18-12-10-16(2)11-13-18/h10-13,17,19-20H,4-9,14-15H2,1-3H3/t17-,19-,20-/m0/s1