1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylazepane

Systemtic Name: 1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylazepane Openeye Name: 1-[4-(tetrazol-1-yl)phenyl]sulfonylazepane CAS Name: 1-[4-(1-tetrazolyl)phenyl]sulfonylazepane IUPAC Name: 1-[4-(tetrazol-1-yl)phenyl]sulfonylazepane Traditional Name: 1-[4-(tetrazol-1-yl)phenyl]sulfonylazepane Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C13H17N5O2S/c19-21(20,17-9-3-1-2-4-10-17)13-7-5-12(6-8-13)18-11-14-15-16-18/h5-8,11H,1-4,9-10H2