methyl 4-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]butanoate

Systemtic Name: methyl 4-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]butanoate Openeye Name: methyl 4-[(4-bromo-2-ethyl-phenyl)sulfonylamino]butanoate CAS Name: 4-[(4-bromo-2-ethylphenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-bromo-2-ethylphenyl)sulfonylamino]butanoate Traditional Name: 4-[(4-bromo-2-ethyl-phenyl)sulfonylamino]butyric acid methyl ester Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NCCCC(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NCCCC(=O)OC

InChI

InChI=1S/C13H18BrNO4S/c1-3-10-9-11(14)6-7-12(10)20(17,18)15-8-4-5-13(16)19-2/h6-7,9,15H,3-5,8H2,1-2H3