[(2S,3R,5R)-5-butyl-2-pent-4-enyl-3-(phenylsulfonyl)pyrrolidin-1-yl]-phenyl-methanone

Systemtic Name: [(2S,3R,5R)-5-butyl-2-pent-4-enyl-3-(phenylsulfonyl)pyrrolidin-1-yl]-phenyl-methanone Openeye Name: [(2S,3R,5R)-3-(benzenesulfonyl)-5-butyl-2-pent-4-enyl-pyrrolidin-1-yl]-phenyl-methanone CAS Name: [(2S,3R,5R)-3-(benzenesulfonyl)-5-butyl-2-pent-4-enyl-1-pyrrolidinyl]-phenylmethanone IUPAC Name: [(2S,3R,5R)-3-(benzenesulfonyl)-5-butyl-2-pent-4-enylpyrrolidin-1-yl]-phenylmethanone Traditional Name: [(2S,3R,5R)-3-besyl-5-butyl-2-pent-4-enyl-pyrrolidino]-phenyl-methanone Formula: C26H33NO3S MolecularWeight: 439.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(C(N1C(=O)C2=CC=CC=C2)CCCC=C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO3S/c1-3-5-9-19-24-25(31(29,30)23-17-12-8-13-18-23)20-22(16-6-4-2)27(24)26(28)21-14-10-7-11-15-21/h3,7-8,10-15,17-18,22,24-25H,1,4-6,9,16,19-20H2,2H3/t22-,24+,25-/m1/s1