(2S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenylmethoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-4-benzyloxy-1-(3,4-dimethoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenylmethoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenylmethoxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-4-benzoxy-1-(3,4-dimethoxyphenyl)sulfonyl-proline Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H23NO7S/c1-26-18-9-8-16(11-19(18)27-2)29(24,25)21-12-15(10-17(21)20(22)23)28-13-14-6-4-3-5-7-14/h3-9,11,15,17H,10,12-13H2,1-2H3,(H,22,23)/t15-,17+/m1/s1