tert-butyl 4-azanyl-3-methylsulfonyl-benzoate

Systemtic Name: tert-butyl 4-azanyl-3-methylsulfonyl-benzoate Openeye Name: tert-butyl 4-amino-3-methylsulfonyl-benzoate CAS Name: 4-amino-3-methylsulfonylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-methylsulfonylbenzoate Traditional Name: 4-amino-3-mesyl-benzoic acid tert-butyl ester Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)N)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)N)S(=O)(=O)C

InChI

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