3-[3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)carbonyl-pyrrolidin-3-yl]propane-1-sulfonate

Systemtic Name: 3-[3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)carbonyl-pyrrolidin-3-yl]propane-1-sulfonate Openeye Name: 3-[3-(3,4-dichlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate CAS Name: 3-[3-(3,4-dichlorophenyl)-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-1-propanesulfonate IUPAC Name: 3-[3-(3,4-dichlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate Traditional Name: 3-[3-(3,4-dichlorophenyl)-1-p-anisoyl-pyrrolidin-3-yl]propane-1-sulfonate Formula: C21H22Cl2NO5S- MolecularWeight: 471.37408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCC(C2)(CCCS(=O)(=O)[O-])C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCC(C2)(CCCS(=O)(=O)[O-])C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2NO5S/c1-29-17-6-3-15(4-7-17)20(25)24-11-10-21(14-24,9-2-12-30(26,27)28)16-5-8-18(22)19(23)13-16/h3-8,13H,2,9-12,14H2,1H3,(H,26,27,28)/p-1