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

Systemtic Name: 3-[[4-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(m-tolylmethylsulfanyl)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-[(3-methylbenzyl)thio]acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S2/c1-14-3-2-4-15(11-14)12-27-13-18(22)21-16-5-7-17(8-6-16)28(25,26)20-10-9-19(23)24/h2-8,11,20H,9-10,12-13H2,1H3,(H,21,22)(H,23,24)