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

Systemtic Name: 1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylazepane Openeye Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]azepane IUPAC Name: 1-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylazepane Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCCCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3O2S/c1-20(2,3)19-18(26(24,25)23-13-9-4-5-10-14-23)16-22(21-19)15-17-11-7-6-8-12-17/h6-8,11-12,16H,4-5,9-10,13-15H2,1-3H3