methyl 3-[4-[2-chloroethyl(sulfamoyl)amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[2-chloroethyl(sulfamoyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[2-chloroethyl(sulfamoyl)amino]phenyl]propanoate CAS Name: 3-[4-[2-chloroethyl(sulfamoyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-chloroethyl(sulfamoyl)amino]phenyl]propanoate Traditional Name: 3-[4-[2-chloroethyl(sulfamoyl)amino]phenyl]propionic acid methyl ester Formula: C12H17ClN2O4S MolecularWeight: 320.79238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N(CCCl)S(=O)(=O)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N(CCCl)S(=O)(=O)N

InChI

InChI=1S/C12H17ClN2O4S/c1-19-12(16)7-4-10-2-5-11(6-3-10)15(9-8-13)20(14,17)18/h2-3,5-6H,4,7-9H2,1H3,(H2,14,17,18)