2-[4-[2-[(4-bromanyl-2-methyl-phenyl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-bromanyl-2-methyl-phenyl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-bromo-2-methyl-phenyl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-[(4-bromo-2-methylphenyl)sulfonyl-propylamino]ethylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-bromo-2-methylphenyl)sulfonyl-propylamino]ethylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-bromo-2-methyl-phenyl)sulfonyl-propyl-amino]ethylthio]-2-methyl-phenoxy]acetic acid Formula: C21H26BrNO5S2 MolecularWeight: 516.46884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C21H26BrNO5S2/c1-4-9-23(30(26,27)20-8-5-17(22)12-16(20)3)10-11-29-18-6-7-19(15(2)13-18)28-14-21(24)25/h5-8,12-13H,4,9-11,14H2,1-3H3,(H,24,25)