(2S,3R,5R)-1-methyl-5-nonyl-2-(phenylmethyl)-3-(phenylsulfonyl)pyrrolidine

Systemtic Name: (2S,3R,5R)-1-methyl-5-nonyl-2-(phenylmethyl)-3-(phenylsulfonyl)pyrrolidine Openeye Name: (2S,3R,5R)-3-(benzenesulfonyl)-2-benzyl-1-methyl-5-nonyl-pyrrolidine CAS Name: (2S,3R,5R)-3-(benzenesulfonyl)-1-methyl-5-nonyl-2-(phenylmethyl)pyrrolidine IUPAC Name: (2S,3R,5R)-3-(benzenesulfonyl)-2-benzyl-1-methyl-5-nonylpyrrolidine Traditional Name: (2S,3R,5R)-2-benzyl-3-besyl-1-methyl-5-nonyl-pyrrolidine Formula: C27H39NO2S MolecularWeight: 441.66906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(C(N1C)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC[C@@H]1C[C@H]([C@@H](N1C)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H39NO2S/c1-3-4-5-6-7-8-13-18-24-22-27(31(29,30)25-19-14-10-15-20-25)26(28(24)2)21-23-16-11-9-12-17-23/h9-12,14-17,19-20,24,26-27H,3-8,13,18,21-22H2,1-2H3/t24-,26+,27-/m1/s1