(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C15H20N4O4S/c1-3-4-9-19-14(16-17-18-19)10-23-15(20)13-7-5-12(6-8-13)11-24(2,21)22/h5-8H,3-4,9-11H2,1-2H3