S-[3-(4-methoxyphenyl)propyl] (2S)-1-(2-methylphenyl)sulfonylpyrrolidine-2-carbothioate

Systemtic Name: S-[3-(4-methoxyphenyl)propyl] (2S)-1-(2-methylphenyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-[3-(4-methoxyphenyl)propyl] (2S)-1-(o-tolylsulfonyl)pyrrolidine-2-carbothioate CAS Name: (2S)-1-(2-methylphenyl)sulfonyl-2-pyrrolidinecarbothioic acid S-[3-(4-methoxyphenyl)propyl] ester IUPAC Name: S-[3-(4-methoxyphenyl)propyl] (2S)-1-(2-methylphenyl)sulfonylpyrrolidine-2-carbothioate Traditional Name: (2S)-1-(o-tolylsulfonyl)pyrrolidine-2-carbothioic acid S-[3-(4-methoxyphenyl)propyl] ester Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCC2C(=O)SCCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCC[C@H]2C(=O)SCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO4S2/c1-17-7-3-4-10-21(17)29(25,26)23-15-5-9-20(23)22(24)28-16-6-8-18-11-13-19(27-2)14-12-18/h3-4,7,10-14,20H,5-6,8-9,15-16H2,1-2H3/t20-/m0/s1