(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-methylsulfonylbenzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-methylsulfonylbenzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C13H16N4O4S/c1-3-8-17-12(14-15-16-17)9-21-13(18)10-6-4-5-7-11(10)22(2,19)20/h4-7H,3,8-9H2,1-2H3