methyl 2-[3-[(4-azanyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]sulfonylethanoate

Systemtic Name: methyl 2-[3-[(4-azanyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]sulfonylethanoate Openeye Name: methyl 2-[3-(4-amino-2-methyl-anilino)-3-oxo-propyl]sulfonylacetate CAS Name: 2-[3-(4-amino-2-methylanilino)-3-oxopropyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[3-(4-amino-2-methylanilino)-3-oxopropyl]sulfonylacetate Traditional Name: 2-[3-(4-amino-2-methyl-anilino)-3-keto-propyl]sulfonylacetic 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)CCS(=O)(=O)CC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)CCS(=O)(=O)CC(=O)OC

InChI

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