2-(4-tert-butylphenyl)sulfonyl-1-isocyanato-ethanone

Systemtic Name: 2-(4-tert-butylphenyl)sulfonyl-1-isocyanato-ethanone Openeye Name: 2-(4-tert-butylphenyl)sulfonylacetyl isocyanate CAS Name: 2-(4-tert-butylphenyl)sulfonyl-1-isocyanatoethanone IUPAC Name: 2-(4-tert-butylphenyl)sulfonylacetyl isocyanate Traditional Name: 2-(4-tert-butylphenyl)sulfonyl-1-isocyanato-ethanone Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c1-13(2,3)10-4-6-11(7-5-10)19(17,18)8-12(16)14-9-15/h4-7H,8H2,1-3H3