2-[3-[[2-(3-chlorophenyl)sulfanylethyl-methylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[2-(3-chlorophenyl)sulfanylethyl-methylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[2-(3-chlorophenyl)sulfanylethyl-methylsulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[2-[(3-chlorophenyl)thio]ethyl-methylsulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[2-(3-chlorophenyl)sulfanylethyl-methylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[2-[(3-chlorophenyl)thio]ethyl-mesyl-amino]methyl]phenyl]acetic acid Formula: C18H20ClNO4S2 MolecularWeight: 413.9387

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCSC1=CC(=CC=C1)Cl)CC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCSC1=CC(=CC=C1)Cl)CC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C18H20ClNO4S2/c1-26(23,24)20(8-9-25-17-7-3-6-16(19)12-17)13-15-5-2-4-14(10-15)11-18(21)22/h2-7,10,12H,8-9,11,13H2,1H3,(H,21,22)