4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfonylethyl)pyrrolidine-3-carboxylic acid Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO7S/c1-3-11-33(28,29)12-10-25-14-19(17-6-9-20-21(13-17)32-15-31-20)22(24(26)27)23(25)16-4-7-18(30-2)8-5-16/h4-9,13,19,22-23H,3,10-12,14-15H2,1-2H3,(H,26,27)