methyl 3-[2-[(3-azanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: methyl 3-[2-[(3-azanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: methyl 3-[2-(3-amino-4-methyl-anilino)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-(3-amino-4-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=C(C=C1)NC(=O)CS(=O)(=O)CCC(=O)OC)N

Isomeric SMILES

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

InChI

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