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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2CCCC2C(=O)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2CCCC2C(=O)SCCC3=CC=CC=C3

InChI

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