S-phenethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate

Systemtic Name: S-phenethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-phenethyl 1-(p-tolylsulfonyl)pyrrolidine-2-carbothioate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarbothioic acid S-phenethyl ester IUPAC Name: S-phenethyl 1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate Traditional Name: 1-tosylpyrrolidine-2-carbothioic acid S-phenethyl ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)SCCC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S2/c1-16-9-11-18(12-10-16)26(23,24)21-14-5-8-19(21)20(22)25-15-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3