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

Systemtic Name: methyl 3-[(3-azanyl-4-chloranyl-phenyl)methylsulfonyl]propanoate Openeye Name: methyl 3-[(3-amino-4-chloro-phenyl)methylsulfonyl]propanoate CAS Name: 3-[(3-amino-4-chlorophenyl)methylsulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3-amino-4-chlorophenyl)methylsulfonyl]propanoate Traditional Name: 3-(3-amino-4-chloro-benzyl)sulfonylpropionic acid methyl ester Formula: C11H14ClNO4S MolecularWeight: 291.75116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClNO4S/c1-17-11(14)4-5-18(15,16)7-8-2-3-9(12)10(13)6-8/h2-3,6H,4-5,7,13H2,1H3