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

Systemtic Name: 2-[3-[[methylsulfonyl-[(3-methylsulfonyloxy-4-propoxy-phenyl)methyl]amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[methylsulfonyl-[(3-methylsulfonyloxy-4-propoxy-phenyl)methyl]amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[methylsulfonyl-[(3-methylsulfonyloxy-4-propoxyphenyl)methyl]amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[methylsulfonyl-[(3-methylsulfonyloxy-4-propoxyphenyl)methyl]amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[mesyl-(3-methylsulfonyloxy-4-propoxy-benzyl)amino]methyl]phenyl]acetic acid Formula: C21H27NO8S2 MolecularWeight: 485.57098

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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)OS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO8S2/c1-4-10-29-19-9-8-18(12-20(19)30-32(3,27)28)15-22(31(2,25)26)14-17-7-5-6-16(11-17)13-21(23)24/h5-9,11-12H,4,10,13-15H2,1-3H3,(H,23,24)