ethyl 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-oxidanylidene-2-pyridin-2-yl-ethanesulfonate

Systemtic Name: ethyl 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-oxidanylidene-2-pyridin-2-yl-ethanesulfonate Openeye Name: ethyl 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-oxo-2-(2-pyridyl)ethanesulfonate CAS Name: 1-[3-(3,4-dichlorophenyl)-3-pyrrolidinyl]-2-oxo-2-(2-pyridinyl)ethanesulfonic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-oxo-2-pyridin-2-ylethanesulfonate Traditional Name: 1-[3-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-keto-2-(2-pyridyl)ethanesulfonic acid ethyl ester Formula: C19H20Cl2N2O4S MolecularWeight: 443.3441

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(C(=O)C1=CC=CC=N1)C2(CCNC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOS(=O)(=O)C(C(=O)C1=CC=CC=N1)C2(CCNC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O4S/c1-2-27-28(25,26)18(17(24)16-5-3-4-9-23-16)19(8-10-22-12-19)13-6-7-14(20)15(21)11-13/h3-7,9,11,18,22H,2,8,10,12H2,1H3