(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2(CCCC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C19H26N4O4S/c1-4-11-23-17(20-21-22-23)13-27-18(24)19(9-5-6-10-19)28(25,26)16-8-7-14(2)15(3)12-16/h7-8,12H,4-6,9-11,13H2,1-3H3