(3S,5R)-1-(4-methoxyphenyl)sulfonyl-5-(sulfanylmethyl)pyrrolidine-3-thiol

Systemtic Name: (3S,5R)-1-(4-methoxyphenyl)sulfonyl-5-(sulfanylmethyl)pyrrolidine-3-thiol Openeye Name: (3S,5R)-1-(4-methoxyphenyl)sulfonyl-5-(sulfanylmethyl)pyrrolidine-3-thiol CAS Name: (3S,5R)-5-(mercaptomethyl)-1-(4-methoxyphenyl)sulfonyl-3-pyrrolidinethiol IUPAC Name: (3S,5R)-1-(4-methoxyphenyl)sulfonyl-5-(sulfanylmethyl)pyrrolidine-3-thiol Traditional Name: (3S,5R)-5-(mercaptomethyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-3-thiol Formula: C12H17NO3S3 MolecularWeight: 319.46328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2CS)S

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2CS)S

InChI

InChI=1S/C12H17NO3S3/c1-16-10-2-4-12(5-3-10)19(14,15)13-7-11(18)6-9(13)8-17/h2-5,9,11,17-18H,6-8H2,1H3/t9-,11+/m1/s1