3-[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylamino]propanoate

Systemtic Name: 3-[[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylamino]propanoate Openeye Name: 3-[[5-(2-amino-2-oxo-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylamino]propanoate CAS Name: 3-[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylamino]propanoate IUPAC Name: 3-[[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylamino]propanoate Traditional Name: 3-[[5-(2-amino-2-keto-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylamino]propionate Formula: C12H14ClN2O6S- MolecularWeight: 349.76736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCCC(=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)NCCC(=O)[O-])Cl

InChI

InChI=1S/C12H15ClN2O6S/c1-7-4-8(13)10(5-9(7)21-6-11(14)16)22(19,20)15-3-2-12(17)18/h4-5,15H,2-3,6H2,1H3,(H2,14,16)(H,17,18)/p-1