methyl 3-[2-(4-aminophenyl)ethylsulfonyl]propanoate

Systemtic Name: methyl 3-[2-(4-aminophenyl)ethylsulfonyl]propanoate Openeye Name: methyl 3-[2-(4-aminophenyl)ethylsulfonyl]propanoate CAS Name: 3-[2-(4-aminophenyl)ethylsulfonyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-aminophenyl)ethylsulfonyl]propanoate Traditional Name: 3-[2-(4-aminophenyl)ethylsulfonyl]propionic acid methyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CCC1=CC=C(C=C1)N

Isomeric SMILES

COC(=O)CCS(=O)(=O)CCC1=CC=C(C=C1)N

InChI

InChI=1S/C12H17NO4S/c1-17-12(14)7-9-18(15,16)8-6-10-2-4-11(13)5-3-10/h2-5H,6-9,13H2,1H3