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

Systemtic Name: (2S,3R)-3-[(1S)-1-chloranylethyl]-1-(4-methylphenyl)sulfonyl-2-phenethyl-pyrrolidine Openeye Name: (2S,3R)-3-[(1S)-1-chloroethyl]-2-phenethyl-1-(p-tolylsulfonyl)pyrrolidine CAS Name: (2S,3R)-3-[(1S)-1-chloroethyl]-1-(4-methylphenyl)sulfonyl-2-phenethylpyrrolidine IUPAC Name: (2S,3R)-3-[(1S)-1-chloroethyl]-1-(4-methylphenyl)sulfonyl-2-phenethylpyrrolidine Traditional Name: (2S,3R)-3-[(1S)-1-chloroethyl]-2-phenethyl-1-tosyl-pyrrolidine Formula: C21H26ClNO2S MolecularWeight: 391.95464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2CCC3=CC=CC=C3)C(C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]([C@@H]2CCC3=CC=CC=C3)[C@H](C)Cl

InChI

InChI=1S/C21H26ClNO2S/c1-16-8-11-19(12-9-16)26(24,25)23-15-14-20(17(2)22)21(23)13-10-18-6-4-3-5-7-18/h3-9,11-12,17,20-21H,10,13-15H2,1-2H3/t17-,20-,21-/m0/s1