S-(3-phenylpropyl) 1-(phenylmethyl)sulfonylpyrrolidine-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) 1-(phenylmethyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-(3-phenylpropyl) 1-benzylsulfonylpyrrolidine-2-carbothioate CAS Name: 1-(phenylmethyl)sulfonyl-2-pyrrolidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 1-benzylsulfonylpyrrolidine-2-carbothioate Traditional Name: 1-benzylsulfonylpyrrolidine-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)SCCCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)SCCCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S2/c23-21(26-16-8-13-18-9-3-1-4-10-18)20-14-7-15-22(20)27(24,25)17-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2