S-[3-(4-methoxyphenyl)propyl] 1-(phenylsulfonyl)pyrrolidine-2-carbothioate

Systemtic Name: S-[3-(4-methoxyphenyl)propyl] 1-(phenylsulfonyl)pyrrolidine-2-carbothioate Openeye Name: S-[3-(4-methoxyphenyl)propyl] 1-(benzenesulfonyl)pyrrolidine-2-carbothioate CAS Name: 1-(benzenesulfonyl)-2-pyrrolidinecarbothioic acid S-[3-(4-methoxyphenyl)propyl] ester IUPAC Name: S-[3-(4-methoxyphenyl)propyl] 1-(benzenesulfonyl)pyrrolidine-2-carbothioate Traditional Name: 1-besylpyrrolidine-2-carbothioic acid S-[3-(4-methoxyphenyl)propyl] ester Formula: C21H25NO4S2 MolecularWeight: 419.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCSC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCSC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S2/c1-26-18-13-11-17(12-14-18)7-6-16-27-21(23)20-10-5-15-22(20)28(24,25)19-8-3-2-4-9-19/h2-4,8-9,11-14,20H,5-7,10,15-16H2,1H3