methyl 3-(1H-imidazol-5-yl)-2-[(4-iodophenyl)sulfonylamino]propanoate

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[(4-iodophenyl)sulfonylamino]propanoate Openeye Name: methyl 3-(1H-imidazol-5-yl)-2-[(4-iodophenyl)sulfonylamino]propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[(4-iodophenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[(4-iodophenyl)sulfonylamino]propanoate Traditional Name: 3-(1H-imidazol-5-yl)-2-[(4-iodophenyl)sulfonylamino]propionic acid methyl ester Formula: C13H14IN3O4S MolecularWeight: 435.23743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C2=CC=C(C=C2)I

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)NS(=O)(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H14IN3O4S/c1-21-13(18)12(6-10-7-15-8-16-10)17-22(19,20)11-4-2-9(14)3-5-11/h2-5,7-8,12,17H,6H2,1H3,(H,15,16)