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

Systemtic Name: 3-[1-(4-tert-butylphenyl)carbonyl-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propane-1-sulfonate Openeye Name: 3-[1-(4-tert-butylbenzoyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propane-1-sulfonate CAS Name: 3-[1-[(4-tert-butylphenyl)-oxomethyl]-3-(3,4-dichlorophenyl)-3-pyrrolidinyl]-1-propanesulfonate IUPAC Name: 3-[1-(4-tert-butylbenzoyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propane-1-sulfonate Traditional Name: 3-[1-(4-tert-butylbenzoyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]propane-1-sulfonate Formula: C24H28Cl2NO4S- MolecularWeight: 497.45442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29Cl2NO4S/c1-23(2,3)18-7-5-17(6-8-18)22(28)27-13-12-24(16-27,11-4-14-32(29,30)31)19-9-10-20(25)21(26)15-19/h5-10,15H,4,11-14,16H2,1-3H3,(H,29,30,31)/p-1