1-(3-methyl-1-propan-2-yl-pyrazol-4-yl)sulfonylazepane

Systemtic Name: 1-(3-methyl-1-propan-2-yl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-(1-isopropyl-3-methyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[(3-methyl-1-propan-2-yl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(1-isopropyl-3-methyl-pyrazol-4-yl)sulfonylazepane Formula: C13H23N3O2S MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCCCCC2)C(C)C

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCCCCC2)C(C)C

InChI

InChI=1S/C13H23N3O2S/c1-11(2)16-10-13(12(3)14-16)19(17,18)15-8-6-4-5-7-9-15/h10-11H,4-9H2,1-3H3