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

Systemtic Name: S-[3-(4-methoxyphenyl)propyl] 1-(phenylmethyl)sulfonylpyrrolidine-2-carbothioate Openeye Name: S-[3-(4-methoxyphenyl)propyl] 1-benzylsulfonylpyrrolidine-2-carbothioate CAS Name: 1-(phenylmethyl)sulfonyl-2-pyrrolidinecarbothioic acid S-[3-(4-methoxyphenyl)propyl] ester IUPAC Name: S-[3-(4-methoxyphenyl)propyl] 1-benzylsulfonylpyrrolidine-2-carbothioate Traditional Name: 1-benzylsulfonylpyrrolidine-2-carbothioic acid S-[3-(4-methoxyphenyl)propyl] ester Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCSC(=O)C2CCCN2S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCCSC(=O)C2CCCN2S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S2/c1-27-20-13-11-18(12-14-20)9-6-16-28-22(24)21-10-5-15-23(21)29(25,26)17-19-7-3-2-4-8-19/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3