2-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-methoxyphenyl)sulfonyl-hexanoic acid

Systemtic Name: 2-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-methoxyphenyl)sulfonyl-hexanoic acid Openeye Name: 2-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-methoxyphenyl)sulfonyl-hexanoic acid CAS Name: 2-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-methoxyphenyl)sulfonylhexanoic acid IUPAC Name: 2-[[4-(2-diethylaminoethyloxy)phenyl]methyl]-2-(4-methoxyphenyl)sulfonylhexanoic acid Traditional Name: 2-[4-(2-diethylaminoethyloxy)benzyl]-2-(4-methoxyphenyl)sulfonyl-hexanoic acid Formula: C26H37NO6S MolecularWeight: 491.64008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)OCCN(CC)CC)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)OCCN(CC)CC)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C26H37NO6S/c1-5-8-17-26(25(28)29,34(30,31)24-15-13-22(32-4)14-16-24)20-21-9-11-23(12-10-21)33-19-18-27(6-2)7-3/h9-16H,5-8,17-20H2,1-4H3,(H,28,29)