5-[(2S,3R,5R)-5-butyl-1-(phenylmethyl)-3-(phenylsulfonyl)pyrrolidin-2-yl]pentan-2-one

Systemtic Name: 5-[(2S,3R,5R)-5-butyl-1-(phenylmethyl)-3-(phenylsulfonyl)pyrrolidin-2-yl]pentan-2-one Openeye Name: 5-[(2S,3R,5R)-3-(benzenesulfonyl)-1-benzyl-5-butyl-pyrrolidin-2-yl]pentan-2-one CAS Name: 5-[(2S,3R,5R)-3-(benzenesulfonyl)-5-butyl-1-(phenylmethyl)-2-pyrrolidinyl]-2-pentanone IUPAC Name: 5-[(2S,3R,5R)-3-(benzenesulfonyl)-1-benzyl-5-butylpyrrolidin-2-yl]pentan-2-one Traditional Name: 5-[(2S,3R,5R)-1-benzyl-3-besyl-5-butyl-pyrrolidin-2-yl]pentan-2-one Formula: C26H35NO3S MolecularWeight: 441.626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(C(N1CC2=CC=CC=C2)CCCC(=O)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H]1C[C@H]([C@@H](N1CC2=CC=CC=C2)CCCC(=O)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H35NO3S/c1-3-4-15-23-19-26(31(29,30)24-16-9-6-10-17-24)25(18-11-12-21(2)28)27(23)20-22-13-7-5-8-14-22/h5-10,13-14,16-17,23,25-26H,3-4,11-12,15,18-20H2,1-2H3/t23-,25+,26-/m1/s1