ethyl (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylate Openeye Name: ethyl (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylate CAS Name: (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylate Traditional Name: (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C26H33NO7S MolecularWeight: 503.60772

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CCN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCS(=O)(=O)CCN1C[C@H]([C@@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H33NO7S/c1-4-13-35(29,30)14-12-27-16-21(19-8-11-22-23(15-19)34-17-33-22)24(26(28)32-5-2)25(27)18-6-9-20(31-3)10-7-18/h6-11,15,21,24-25H,4-5,12-14,16-17H2,1-3H3/t21-,24-,25+/m0/s1