S-(3-phenylpropyl) 1-(phenylsulfonyl)pyrrolidine-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) 1-(phenylsulfonyl)pyrrolidine-2-carbothioate Openeye Name: S-(3-phenylpropyl) 1-(benzenesulfonyl)pyrrolidine-2-carbothioate CAS Name: 1-(benzenesulfonyl)-2-pyrrolidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 1-(benzenesulfonyl)pyrrolidine-2-carbothioate Traditional Name: 1-besylpyrrolidine-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)SCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)SCCCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S2/c22-20(25-16-8-11-17-9-3-1-4-10-17)19-14-7-15-21(19)26(23,24)18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2