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

Systemtic Name: (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxy-proline Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)O)OC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](C[C@H]2C(=O)O)OC3=CC=CC=C3)OC

InChI

InChI=1S/C19H21NO7S/c1-25-17-9-8-15(11-18(17)26-2)28(23,24)20-12-14(10-16(20)19(21)22)27-13-6-4-3-5-7-13/h3-9,11,14,16H,10,12H2,1-2H3,(H,21,22)/t14-,16-/m0/s1