2-(phenylmethoxymethyl)-4-sulfanyl-pyrrolidine-1-sulfonic acid

Systemtic Name: 2-(phenylmethoxymethyl)-4-sulfanyl-pyrrolidine-1-sulfonic acid Openeye Name: 2-(benzyloxymethyl)-4-sulfanyl-pyrrolidine-1-sulfonic acid CAS Name: 4-mercapto-2-(phenylmethoxymethyl)-1-pyrrolidinesulfonic acid IUPAC Name: 2-(phenylmethoxymethyl)-4-sulfanylpyrrolidine-1-sulfonic acid Traditional Name: 2-(benzoxymethyl)-4-mercapto-pyrrolidine-1-sulfonic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)O)S

Isomeric SMILES

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)O)S

InChI

InChI=1S/C12H17NO4S2/c14-19(15,16)13-7-12(18)6-11(13)9-17-8-10-4-2-1-3-5-10/h1-5,11-12,18H,6-9H2,(H,14,15,16)