7-tert-butyl-6,7,8,9-tetrahydro-5H-[1,2,3,4]tetrazolo[1,5-a]azepine; 2-methylbenzenesulfonic acid

Systemtic Name: 7-tert-butyl-6,7,8,9-tetrahydro-5H-[1,2,3,4]tetrazolo[1,5-a]azepine; 2-methylbenzenesulfonic acid Openeye Name: 7-tert-butyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine; 2-methylbenzenesulfonic acid CAS Name: 7-tert-butyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine; 2-methylbenzenesulfonic acid IUPAC Name: 7-tert-butyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine; 2-methylbenzenesulfonic acid Traditional Name: 7-tert-butyl-6,7,8,9-tetrahydro-5H-tetrazol[1,5-a]azepine; 2-methylbesylic acid Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.CC(C)(C)C1CCC2=NN=NN2CC1

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.CC(C)(C)C1CCC2=NN=NN2CC1

InChI

InChI=1S/C10H18N4.C7H8O3S/c1-10(2,3)8-4-5-9-11-12-13-14(9)7-6-8;1-6-4-2-3-5-7(6)11(8,9)10/h8H,4-7H2,1-3H3;2-5H,1H3,(H,8,9,10)