S-(3-phenylpropyl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate

Systemtic Name: S-(3-phenylpropyl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-(3-phenylpropyl) 1-(p-tolylsulfonyl)pyrrolidine-2-carbothioate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carbothioate Traditional Name: 1-tosylpyrrolidine-2-carbothioic acid S-(3-phenylpropyl) ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S2/c1-17-11-13-19(14-12-17)27(24,25)22-15-5-10-20(22)21(23)26-16-6-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,20H,5-6,9-10,15-16H2,1H3