3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid; ethanamine

Systemtic Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid; ethanamine Openeye Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid; ethanamine CAS Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid; ethanamine IUPAC Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid; ethanamine Traditional Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propionic acid; ethylamine Formula: C23H33NO6S MolecularWeight: 451.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC.CCN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC.CCN

InChI

InChI=1S/C21H26O6S.C2H7N/c1-4-5-14-27-18-8-6-16(7-9-18)15-21(2,20(22)23)28(24,25)19-12-10-17(26-3)11-13-19;1-2-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,23);2-3H2,1H3