methyl 2-[4-[(4-aminophenyl)amino]-4-oxidanylidene-butyl]sulfonylethanoate

Systemtic Name: methyl 2-[4-[(4-aminophenyl)amino]-4-oxidanylidene-butyl]sulfonylethanoate Openeye Name: methyl 2-[4-(4-aminoanilino)-4-oxo-butyl]sulfonylacetate CAS Name: 2-[4-(4-aminoanilino)-4-oxobutyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-[4-(4-aminoanilino)-4-oxobutyl]sulfonylacetate Traditional Name: 2-[4-(4-aminoanilino)-4-keto-butyl]sulfonylacetic acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)CCCC(=O)NC1=CC=C(C=C1)N

Isomeric SMILES

COC(=O)CS(=O)(=O)CCCC(=O)NC1=CC=C(C=C1)N

InChI

InChI=1S/C13H18N2O5S/c1-20-13(17)9-21(18,19)8-2-3-12(16)15-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9,14H2,1H3,(H,15,16)