methyl 3-[(5-azanyl-2-methoxy-phenyl)methylsulfonyl]propanoate

Systemtic Name: methyl 3-[(5-azanyl-2-methoxy-phenyl)methylsulfonyl]propanoate Openeye Name: methyl 3-[(5-amino-2-methoxy-phenyl)methylsulfonyl]propanoate CAS Name: 3-[(5-amino-2-methoxyphenyl)methylsulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-amino-2-methoxyphenyl)methylsulfonyl]propanoate Traditional Name: 3-(5-amino-2-methoxy-benzyl)sulfonylpropionic acid methyl ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)CS(=O)(=O)CCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N)CS(=O)(=O)CCC(=O)OC

InChI

InChI=1S/C12H17NO5S/c1-17-11-4-3-10(13)7-9(11)8-19(15,16)6-5-12(14)18-2/h3-4,7H,5-6,8,13H2,1-2H3