methyl 3-[(5-azanyl-2-ethyl-phenyl)sulfonylamino]propanoate

Systemtic Name: methyl 3-[(5-azanyl-2-ethyl-phenyl)sulfonylamino]propanoate Openeye Name: methyl 3-[(5-amino-2-ethyl-phenyl)sulfonylamino]propanoate CAS Name: 3-[(5-amino-2-ethylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(5-amino-2-ethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(5-amino-2-ethyl-phenyl)sulfonylamino]propionic acid methyl ester Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)N)S(=O)(=O)NCCC(=O)OC

Isomeric SMILES

CCC1=C(C=C(C=C1)N)S(=O)(=O)NCCC(=O)OC

InChI

InChI=1S/C12H18N2O4S/c1-3-9-4-5-10(13)8-11(9)19(16,17)14-7-6-12(15)18-2/h4-5,8,14H,3,6-7,13H2,1-2H3