1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylazepane

Systemtic Name: 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[(3-tert-butyl-1-phenyl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylazepane Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-19(2,3)18-17(15-22(20-18)16-11-7-6-8-12-16)25(23,24)21-13-9-4-5-10-14-21/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3