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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c1-4-7-18-13(15-16-17-18)9-22-14(19)12-8-11(23(3,20)21)6-5-10(12)2/h5-6,8H,4,7,9H2,1-3H3