(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H24N4O5S/c1-4-5-12-25-20(22-23-24-25)14-29-21(26)17-8-6-7-9-18(17)30-31(27,28)19-13-15(2)10-11-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3