methyl 6-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(5-bromo-2-methoxy-phenyl)sulfonylamino]hexanoate CAS Name: 6-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(5-bromo-2-methoxy-phenyl)sulfonylamino]hexanoic acid methyl ester Formula: C14H20BrNO5S MolecularWeight: 394.2813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C14H20BrNO5S/c1-20-12-8-7-11(15)10-13(12)22(18,19)16-9-5-3-4-6-14(17)21-2/h7-8,10,16H,3-6,9H2,1-2H3