methyl 2-[[4-(2-phenethylsulfanylethanoylamino)phenyl]sulfonylamino]ethanoate

Systemtic Name: methyl 2-[[4-(2-phenethylsulfanylethanoylamino)phenyl]sulfonylamino]ethanoate Openeye Name: methyl 2-[[4-[(2-phenethylsulfanylacetyl)amino]phenyl]sulfonylamino]acetate CAS Name: 2-[[4-[[1-oxo-2-(phenethylthio)ethyl]amino]phenyl]sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-phenethylsulfanylacetyl)amino]phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-[[2-(phenethylthio)acetyl]amino]phenyl]sulfonylamino]acetic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSCCC2=CC=CC=C2

InChI

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