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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-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=C(C=CC(=C2)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S/c1-4-5-8-19-14(16-17-18-19)10-23-15(20)13-9-12(24(3,21)22)7-6-11(13)2/h6-7,9H,4-5,8,10H2,1-3H3