1-[3-methyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylazepane

Systemtic Name: 1-[3-methyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylazepane Openeye Name: 1-(1-benzyl-3-methyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[[3-methyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-(1-benzyl-3-methylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(1-benzyl-3-methyl-pyrazol-4-yl)sulfonylazepane Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1S(=O)(=O)N2CCCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1S(=O)(=O)N2CCCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H23N3O2S/c1-15-17(23(21,22)20-11-7-2-3-8-12-20)14-19(18-15)13-16-9-5-4-6-10-16/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3