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

Systemtic Name: phenyl 2-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-(1-cyclohexyltetrazol-5-yl)sulfanylethanesulfonate CAS Name: 2-[(1-cyclohexyl-5-tetrazolyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(1-cyclohexyltetrazol-5-yl)sulfanylethanesulfonate Traditional Name: 2-[(1-cyclohexyltetrazol-5-yl)thio]ethanesulfonic acid phenyl ester Formula: C15H20N4O3S2 MolecularWeight: 368.4743

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=N2)SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C15H20N4O3S2/c20-24(21,22-14-9-5-2-6-10-14)12-11-23-15-16-17-18-19(15)13-7-3-1-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2