methyl 2-[(4-isocyanophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(4-isocyanophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-isocyanophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-isocyanophenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-isocyanophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(4-isocyanophenyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)[N+]#[C-]

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=C(C=C1)[N+]#[C-]

InChI

InChI=1S/C13H16N2O4S/c1-9(2)12(13(16)19-4)15-20(17,18)11-7-5-10(14-3)6-8-11/h5-9,12,15H,1-2,4H3