methyl 3-[3-[(3-aminophenyl)amino]-3-oxidanylidene-propyl]sulfonylpropanoate

Systemtic Name: methyl 3-[3-[(3-aminophenyl)amino]-3-oxidanylidene-propyl]sulfonylpropanoate Openeye Name: methyl 3-[3-(3-aminoanilino)-3-oxo-propyl]sulfonylpropanoate CAS Name: 3-[3-(3-aminoanilino)-3-oxopropyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-(3-aminoanilino)-3-oxopropyl]sulfonylpropanoate Traditional Name: 3-[3-(3-aminoanilino)-3-keto-propyl]sulfonylpropionic acid methyl ester Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CCC(=O)NC1=CC=CC(=C1)N

Isomeric SMILES

COC(=O)CCS(=O)(=O)CCC(=O)NC1=CC=CC(=C1)N

InChI

InChI=1S/C13H18N2O5S/c1-20-13(17)6-8-21(18,19)7-5-12(16)15-11-4-2-3-10(14)9-11/h2-4,9H,5-8,14H2,1H3,(H,15,16)