phenyl 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanesulfonate CAS Name: 2-[(1-cyclopentyl-5-tetrazolyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-cyclopentyltetrazol-5-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-cyclopentyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C14H18N4O3S2 MolecularWeight: 354.44772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C14H18N4O3S2/c19-23(20,21-13-8-2-1-3-9-13)11-10-22-14-15-16-17-18(14)12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2