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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(dibutylsulfamoylmethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(dibutylsulfamoylmethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(dibutylsulfamoylmethyl)-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(dibutylsulfamoylmethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-(dibutylsulfamoylmethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C28H38N2O7S MolecularWeight: 546.67552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H38N2O7S/c1-4-6-14-30(15-7-5-2)38(33,34)18-29-17-23(21-10-13-24-25(16-21)37-19-36-24)26(28(31)32)27(29)20-8-11-22(35-3)12-9-20/h8-13,16,23,26-27H,4-7,14-15,17-19H2,1-3H3,(H,31,32)