lithium 3-[3-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: lithium 3-[3-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: lithium 3-(3-isopentyloxyphenyl)-3-(p-tolylsulfonylamino)propanoate CAS Name: lithium 3-[3-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoate IUPAC Name: lithium 3-[3-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: lithium 3-(3-isoamoxyphenyl)-3-(tosylamino)propionate Formula: C21H26LiNO5S MolecularWeight: 411.44084

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

[Li+].CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C2=CC(=CC=C2)OCCC(C)C

InChI

InChI=1S/C21H27NO5S.Li/c1-15(2)11-12-27-18-6-4-5-17(13-18)20(14-21(23)24)22-28(25,26)19-9-7-16(3)8-10-19;/h4-10,13,15,20,22H,11-12,14H2,1-3H3,(H,23,24);/q;+1/p-1