2-[[4-[2-(2-methylphenyl)sulfanylethanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(2-methylphenyl)sulfanylethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(o-tolylsulfanyl)acetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-(2-methylphenyl)sulfanylacetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-(o-tolylthio)acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C17H18N2O5S2/c1-12-4-2-3-5-15(12)25-11-16(20)19-13-6-8-14(9-7-13)26(23,24)18-10-17(21)22/h2-9,18H,10-11H2,1H3,(H,19,20)(H,21,22)