2-[(4-butoxyphenyl)methyl]-3-(4-ethoxyphenyl)sulfonyl-propanoic acid; ethanamine

Systemtic Name: 2-[(4-butoxyphenyl)methyl]-3-(4-ethoxyphenyl)sulfonyl-propanoic acid; ethanamine Openeye Name: 2-[(4-butoxyphenyl)methyl]-3-(4-ethoxyphenyl)sulfonyl-propanoic acid; ethanamine CAS Name: 2-[(4-butoxyphenyl)methyl]-3-(4-ethoxyphenyl)sulfonylpropanoic acid; ethanamine IUPAC Name: 2-[(4-butoxyphenyl)methyl]-3-(4-ethoxyphenyl)sulfonylpropanoic acid; ethanamine Traditional Name: 2-(4-butoxybenzyl)-3-p-phenetylsulfonyl-propionic acid; ethylamine Formula: C24H35NO6S MolecularWeight: 465.6028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(CS(=O)(=O)C2=CC=C(C=C2)OCC)C(=O)O.CCN

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(CS(=O)(=O)C2=CC=C(C=C2)OCC)C(=O)O.CCN

InChI

InChI=1S/C22H28O6S.C2H7N/c1-3-5-14-28-20-8-6-17(7-9-20)15-18(22(23)24)16-29(25,26)21-12-10-19(11-13-21)27-4-2;1-2-3/h6-13,18H,3-5,14-16H2,1-2H3,(H,23,24);2-3H2,1H3