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

Systemtic Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 4-methyl-3-(2-p-phenetylpyrrolidino)sulfonyl-benzoic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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)C

Isomeric SMILES

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

InChI

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