3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4,5-dimethyl-benzoic acid Openeye Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4,5-dimethyl-benzoic acid CAS Name: 3-[[2-(4-ethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]sulfonyl-4,5-dimethylbenzoic acid Traditional Name: 3,4-dimethyl-5-(2-p-phenetylpyrrolidino)sulfonyl-benzoic acid Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC(=CC(=C3C)C)C(=O)O

InChI

InChI=1S/C21H25NO5S/c1-4-27-18-9-7-16(8-10-18)19-6-5-11-22(19)28(25,26)20-13-17(21(23)24)12-14(2)15(20)3/h7-10,12-13,19H,4-6,11H2,1-3H3,(H,23,24)