3-(3,4-dichlorophenyl)propyl 2-oxidanylidene-1-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)ethanesulfonate

Systemtic Name: 3-(3,4-dichlorophenyl)propyl 2-oxidanylidene-1-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)ethanesulfonate Openeye Name: 3-(3,4-dichlorophenyl)propyl 2-oxo-1-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)ethanesulfonate CAS Name: 2-oxo-1-(3-pyrrolidinyl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonic acid 3-(3,4-dichlorophenyl)propyl ester IUPAC Name: 3-(3,4-dichlorophenyl)propyl 2-oxo-1-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)ethanesulfonate Traditional Name: 2-keto-1-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)ethanesulfonic acid 3-(3,4-dichlorophenyl)propyl ester Formula: C24H29Cl2NO7S MolecularWeight: 546.46056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(C2CCNC2)S(=O)(=O)OCCCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(C2CCNC2)S(=O)(=O)OCCCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H29Cl2NO7S/c1-31-20-12-17(13-21(32-2)23(20)33-3)22(28)24(16-8-9-27-14-16)35(29,30)34-10-4-5-15-6-7-18(25)19(26)11-15/h6-7,11-13,16,24,27H,4-5,8-10,14H2,1-3H3