(2R)-2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: (2R)-2-[(5-bromanyl-2-ethoxy-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: (2R)-2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: (2R)-2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate IUPAC Name: (2R)-2-[(5-bromo-2-ethoxyphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: (2R)-2-[(5-bromo-2-ethoxy-phenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propionate Formula: C14H15BrN3O5S- MolecularWeight: 417.255

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N[C@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C14H16BrN3O5S/c1-2-23-12-4-3-9(15)5-13(12)24(21,22)18-11(14(19)20)6-10-7-16-8-17-10/h3-5,7-8,11,18H,2,6H2,1H3,(H,16,17)(H,19,20)/p-1/t11-/m1/s1