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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C14H17ClN4O4S MolecularWeight: 372.82718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4O4S/c1-3-4-7-19-13(16-17-18-19)9-23-14(20)11-8-10(24(2,21)22)5-6-12(11)15/h5-6,8H,3-4,7,9H2,1-2H3