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4-[[5-methyl-2-[propyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid

4-[[5-methyl-2-[propyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name:4-[[5-methyl-2-[propyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid
Openeye Name:4-[[5-methyl-2-[propyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid
CAS Name:4-[[5-methyl-2-[propyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid
IUPAC Name:4-[[5-methyl-2-[propyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid
Traditional Name:4-[[5-methyl-2-[propyl(propylsulfonyl)amino]phenoxy]methyl]benzoic acid
Formula: C21H27NO5S
MolecularWeight: 405.50778
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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CCC


Isomeric SMILES

CCCN(C1=C(C=C(C=C1)C)OCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CCC


InChI

InChI=1S/C21H27NO5S/c1-4-12-22(28(25,26)13-5-2)19-11-6-16(3)14-20(19)27-15-17-7-9-18(10-8-17)21(23)24/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,24)


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