3-[3-(3,4-dichlorophenyl)-1-(3,5-dimethoxyphenyl)carbonyl-pyrrolidin-3-yl]propane-1-sulfonate

Systemtic Name: 3-[3-(3,4-dichlorophenyl)-1-(3,5-dimethoxyphenyl)carbonyl-pyrrolidin-3-yl]propane-1-sulfonate Openeye Name: 3-[3-(3,4-dichlorophenyl)-1-(3,5-dimethoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate CAS Name: 3-[3-(3,4-dichlorophenyl)-1-[(3,5-dimethoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-1-propanesulfonate IUPAC Name: 3-[3-(3,4-dichlorophenyl)-1-(3,5-dimethoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate Traditional Name: 3-[3-(3,4-dichlorophenyl)-1-(3,5-dimethoxybenzoyl)pyrrolidin-3-yl]propane-1-sulfonate Formula: C22H24Cl2NO6S- MolecularWeight: 501.40006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2NO6S/c1-30-17-10-15(11-18(13-17)31-2)21(26)25-8-7-22(14-25,6-3-9-32(27,28)29)16-4-5-19(23)20(24)12-16/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,27,28,29)/p-1