3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-4-methoxybenzoic acid IUPAC Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methoxybenzoic acid Traditional Name: 4-methoxy-3-(2-p-phenetylpyrrolidino)sulfonyl-benzoic acid Formula: C20H23NO6S MolecularWeight: 405.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S/c1-3-27-16-9-6-14(7-10-16)17-5-4-12-21(17)28(24,25)19-13-15(20(22)23)8-11-18(19)26-2/h6-11,13,17H,3-5,12H2,1-2H3,(H,22,23)