2,4-bis(chloranyl)-5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-(2-p-phenetylpyrrolidino)sulfonyl-benzoic acid Formula: C19H19Cl2NO5S MolecularWeight: 444.32886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C19H19Cl2NO5S/c1-2-27-13-7-5-12(6-8-13)17-4-3-9-22(17)28(25,26)18-10-14(19(23)24)15(20)11-16(18)21/h5-8,10-11,17H,2-4,9H2,1H3,(H,23,24)