4-azido-6-methyl-1-pyridin-2-ylsulfonyl-azepan-3-ol

Systemtic Name: 4-azido-6-methyl-1-pyridin-2-ylsulfonyl-azepan-3-ol Openeye Name: 4-azido-6-methyl-1-(2-pyridylsulfonyl)azepan-3-ol CAS Name: 4-azido-6-methyl-1-(2-pyridinylsulfonyl)-3-azepanol IUPAC Name: 4-azido-6-methyl-1-pyridin-2-ylsulfonylazepan-3-ol Traditional Name: 4-azido-6-methyl-1-(2-pyridylsulfonyl)azepan-3-ol Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN(C1)S(=O)(=O)C2=CC=CC=N2)O)N=[N+]=[N-]

Isomeric SMILES

CC1CC(C(CN(C1)S(=O)(=O)C2=CC=CC=N2)O)N=[N+]=[N-]

InChI

InChI=1S/C12H17N5O3S/c1-9-6-10(15-16-13)11(18)8-17(7-9)21(19,20)12-4-2-3-5-14-12/h2-5,9-11,18H,6-8H2,1H3