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

Systemtic Name: 1-[3-methyl-4-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylazepane Openeye Name: 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylazepane CAS Name: 1-[3-methyl-4-(1-tetrazolyl)phenyl]sulfonylazepane IUPAC Name: 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylazepane Traditional Name: 1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylazepane Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)N3C=NN=N3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)N3C=NN=N3

InChI

InChI=1S/C14H19N5O2S/c1-12-10-13(6-7-14(12)19-11-15-16-17-19)22(20,21)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3