methyl 3-[(4-aminocarbonyl-2-azanyl-phenyl)methylsulfonyl]propanoate

Systemtic Name: methyl 3-[(4-aminocarbonyl-2-azanyl-phenyl)methylsulfonyl]propanoate Openeye Name: methyl 3-[(2-amino-4-carbamoyl-phenyl)methylsulfonyl]propanoate CAS Name: 3-[(2-amino-4-carbamoylphenyl)methylsulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-4-carbamoylphenyl)methylsulfonyl]propanoate Traditional Name: 3-(2-amino-4-carbamoyl-benzyl)sulfonylpropionic acid methyl ester Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CC1=C(C=C(C=C1)C(=O)N)N

Isomeric SMILES

COC(=O)CCS(=O)(=O)CC1=C(C=C(C=C1)C(=O)N)N

InChI

InChI=1S/C12H16N2O5S/c1-19-11(15)4-5-20(17,18)7-9-3-2-8(12(14)16)6-10(9)13/h2-3,6H,4-5,7,13H2,1H3,(H2,14,16)