(3-aminocarbonyl-2-butyl-phenyl) methanesulfonate

Systemtic Name: (3-aminocarbonyl-2-butyl-phenyl) methanesulfonate Openeye Name: (2-butyl-3-carbamoyl-phenyl) methanesulfonate CAS Name: methanesulfonic acid (2-butyl-3-carbamoylphenyl) ester IUPAC Name: (2-butyl-3-carbamoylphenyl) methanesulfonate Traditional Name: methanesulfonic acid (2-butyl-3-carbamoyl-phenyl) ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1OS(=O)(=O)C)C(=O)N

Isomeric SMILES

CCCCC1=C(C=CC=C1OS(=O)(=O)C)C(=O)N

InChI

InChI=1S/C12H17NO4S/c1-3-4-6-9-10(12(13)14)7-5-8-11(9)17-18(2,15)16/h5,7-8H,3-4,6H2,1-2H3,(H2,13,14)