S-(3-naphthalen-1-ylpropyl) 1-(phenylmethyl)sulfonylpyrrolidine-2-carbothioate

Systemtic Name: S-(3-naphthalen-1-ylpropyl) 1-(phenylmethyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-[3-(1-naphthyl)propyl] 1-benzylsulfonylpyrrolidine-2-carbothioate CAS Name: 1-(phenylmethyl)sulfonyl-2-pyrrolidinecarbothioic acid S-[3-(1-naphthalenyl)propyl] ester IUPAC Name: S-(3-naphthalen-1-ylpropyl) 1-benzylsulfonylpyrrolidine-2-carbothioate Traditional Name: 1-benzylsulfonylpyrrolidine-2-carbothioic acid S-[3-(1-naphthyl)propyl] ester Formula: C25H27NO3S2 MolecularWeight: 453.61678

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)SCCCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)SCCCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H27NO3S2/c27-25(30-18-8-14-22-13-6-12-21-11-4-5-15-23(21)22)24-16-7-17-26(24)31(28,29)19-20-9-2-1-3-10-20/h1-6,9-13,15,24H,7-8,14,16-19H2