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

Systemtic Name: S-[3-(4-methoxyphenyl)propyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-[3-(4-methoxyphenyl)propyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carbothioate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarbothioic acid S-[3-(4-methoxyphenyl)propyl] ester IUPAC Name: S-[3-(4-methoxyphenyl)propyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate Traditional Name: 1-tosylpyrrolidine-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=C(C=C1)S(=O)(=O)N2CCCC2C(=O)SCCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)SCCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27NO4S2/c1-17-7-13-20(14-8-17)29(25,26)23-15-3-6-21(23)22(24)28-16-4-5-18-9-11-19(27-2)12-10-18/h7-14,21H,3-6,15-16H2,1-2H3