2-[3-[[methylsulfonyl-[(3-oxidanyl-4-propoxy-phenyl)methyl]amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[methylsulfonyl-[(3-oxidanyl-4-propoxy-phenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(3-hydroxy-4-propoxy-phenyl)methyl-methylsulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(3-hydroxy-4-propoxyphenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(3-hydroxy-4-propoxyphenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(3-hydroxy-4-propoxy-benzyl)-mesyl-amino]methyl]phenyl]acetic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C20H25NO6S/c1-3-9-27-19-8-7-17(11-18(19)22)14-21(28(2,25)26)13-16-6-4-5-15(10-16)12-20(23)24/h4-8,10-11,22H,3,9,12-14H2,1-2H3,(H,23,24)