ethyl 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-oxidanylidene-3-(3-propan-2-yloxyphenyl)propane-1-sulfonate

Systemtic Name: ethyl 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-oxidanylidene-3-(3-propan-2-yloxyphenyl)propane-1-sulfonate Openeye Name: ethyl 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-(3-isopropoxyphenyl)-3-oxo-propane-1-sulfonate CAS Name: 1-[3-(3,4-dichlorophenyl)-3-pyrrolidinyl]-3-oxo-3-(3-propan-2-yloxyphenyl)-1-propanesulfonic acid IUPAC Name: ethyl 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-oxo-3-(3-propan-2-yloxyphenyl)propane-1-sulfonate Traditional Name: 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-3-(3-isopropoxyphenyl)-3-keto-propane-1-sulfonic acid ethyl ester Formula: C24H29Cl2NO5S MolecularWeight: 514.46176

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(CC(=O)C1=CC(=CC=C1)OC(C)C)C2(CCNC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOS(=O)(=O)C(CC(=O)C1=CC(=CC=C1)OC(C)C)C2(CCNC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H29Cl2NO5S/c1-4-31-33(29,30)23(14-22(28)17-6-5-7-19(12-17)32-16(2)3)24(10-11-27-15-24)18-8-9-20(25)21(26)13-18/h5-9,12-13,16,23,27H,4,10-11,14-15H2,1-3H3