5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 2-methyl-5-(2-p-phenetylpyrrolidino)sulfonyl-benzoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-26-16-9-7-15(8-10-16)19-5-4-12-21(19)27(24,25)17-11-6-14(2)18(13-17)20(22)23/h6-11,13,19H,3-5,12H2,1-2H3,(H,22,23)