[1-methylsulfonyl-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol

Systemtic Name: [1-methylsulfonyl-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol Openeye Name: [1-methylsulfonyl-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol CAS Name: [1-methylsulfonyl-4-(phenoxymethyl)-3-pyrrolidinyl]methanethiol IUPAC Name: [1-methylsulfonyl-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol Traditional Name: [1-mesyl-4-(phenoxymethyl)pyrrolidin-3-yl]methanethiol Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(C(C1)CS)COC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CC(C(C1)CS)COC2=CC=CC=C2

InChI

InChI=1S/C13H19NO3S2/c1-19(15,16)14-7-11(12(8-14)10-18)9-17-13-5-3-2-4-6-13/h2-6,11-12,18H,7-10H2,1H3