methyl 3-[2-[(2-azanyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: methyl 3-[2-[(2-azanyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: methyl 3-[2-(2-amino-6-methyl-anilino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(2-amino-6-methylanilino)-2-oxoethyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-amino-6-methylanilino)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-(2-amino-6-methyl-anilino)-2-keto-ethyl]sulfonylpropionic acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N)NC(=O)CS(=O)(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)N)NC(=O)CS(=O)(=O)CCC(=O)OC

InChI

InChI=1S/C13H18N2O5S/c1-9-4-3-5-10(14)13(9)15-11(16)8-21(18,19)7-6-12(17)20-2/h3-5H,6-8,14H2,1-2H3,(H,15,16)