2-[[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(m-tolylmethylsulfanyl)acetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-[(3-methylbenzyl)thio]acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-13-3-2-4-14(9-13)11-26-12-17(21)20-15-5-7-16(8-6-15)27(24,25)19-10-18(22)23/h2-9,19H,10-12H2,1H3,(H,20,21)(H,22,23)