S-(3-phenylpropyl) (2S)-3-(phenylmethyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) (2S)-3-(phenylmethyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carbothioate Openeye Name: S-(3-phenylpropyl) (2S)-3-benzylsulfonyl-3-azabicyclo[2.2.1]heptane-2-carbothioate CAS Name: (2S)-3-(phenylmethyl)sulfonyl-3-azabicyclo[2.2.1]heptane-2-carbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) (2S)-3-benzylsulfonyl-3-azabicyclo[2.2.1]heptane-2-carbothioate Traditional Name: (2S)-3-benzylsulfonyl-3-azabicyclo[2.2.1]heptane-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C23H27NO3S2 MolecularWeight: 429.59538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(N2S(=O)(=O)CC3=CC=CC=C3)C(=O)SCCCC4=CC=CC=C4

Isomeric SMILES

C1CC2CC1[C@H](N2S(=O)(=O)CC3=CC=CC=C3)C(=O)SCCCC4=CC=CC=C4

InChI

InChI=1S/C23H27NO3S2/c25-23(28-15-7-12-18-8-3-1-4-9-18)22-20-13-14-21(16-20)24(22)29(26,27)17-19-10-5-2-6-11-19/h1-6,8-11,20-22H,7,12-17H2/t20?,21?,22-/m0/s1