2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-2-(oxan-4-yl)ethanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-2-(oxan-4-yl)ethanoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-2-tetrahydropyran-4-yl-acetic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-2-(4-oxanyl)acetic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methylamino]-2-(oxan-4-yl)acetic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonyl-methyl-amino]-2-tetrahydropyran-4-yl-acetic acid Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1CCOCC1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C(C1CCOCC1)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO6S/c1-22(20(21(23)24)17-11-13-28-14-12-17)29(25,26)19-9-5-16(6-10-19)15-3-7-18(27-2)8-4-15/h3-10,17,20H,11-14H2,1-2H3,(H,23,24)