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

Systemtic Name: methyl 3-[(3-azanyl-2-methyl-phenyl)methylsulfonyl]propanoate Openeye Name: methyl 3-[(3-amino-2-methyl-phenyl)methylsulfonyl]propanoate CAS Name: 3-[(3-amino-2-methylphenyl)methylsulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-amino-2-methylphenyl)methylsulfonyl]propanoate Traditional Name: 3-(3-amino-2-methyl-benzyl)sulfonylpropionic acid methyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N)CS(=O)(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1N)CS(=O)(=O)CCC(=O)OC

InChI

InChI=1S/C12H17NO4S/c1-9-10(4-3-5-11(9)13)8-18(15,16)7-6-12(14)17-2/h3-5H,6-8,13H2,1-2H3