benzotriazol-1-yl 2-methyl-3-methylsulfonyl-propanoate

Systemtic Name: benzotriazol-1-yl 2-methyl-3-methylsulfonyl-propanoate Openeye Name: benzotriazol-1-yl 2-methyl-3-methylsulfonyl-propanoate CAS Name: 2-methyl-3-methylsulfonylpropanoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-methyl-3-methylsulfonylpropanoate Traditional Name: 3-mesyl-2-methyl-propionic acid benzotriazol-1-yl ester Formula: C11H13N3O4S MolecularWeight: 283.30362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C)C(=O)ON1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(CS(=O)(=O)C)C(=O)ON1C2=CC=CC=C2N=N1

InChI

InChI=1S/C11H13N3O4S/c1-8(7-19(2,16)17)11(15)18-14-10-6-4-3-5-9(10)12-13-14/h3-6,8H,7H2,1-2H3