2-[[4-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(2-methoxy-4-methylsulfanylbenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-methoxy-4-(methylthio)benzoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C17H18N2O6S2/c1-25-15-9-12(26-2)5-8-14(15)17(22)19-11-3-6-13(7-4-11)27(23,24)18-10-16(20)21/h3-9,18H,10H2,1-2H3,(H,19,22)(H,20,21)