1-(3-tert-butyl-1-propan-2-yl-pyrazol-4-yl)sulfonylazepane

Systemtic Name: 1-(3-tert-butyl-1-propan-2-yl-pyrazol-4-yl)sulfonylazepane Openeye Name: 1-(3-tert-butyl-1-isopropyl-pyrazol-4-yl)sulfonylazepane CAS Name: 1-[(3-tert-butyl-1-propan-2-yl-4-pyrazolyl)sulfonyl]azepane IUPAC Name: 1-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylazepane Traditional Name: 1-(3-tert-butyl-1-isopropyl-pyrazol-4-yl)sulfonylazepane Formula: C16H29N3O2S MolecularWeight: 327.48536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=N1)C(C)(C)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)N1C=C(C(=N1)C(C)(C)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H29N3O2S/c1-13(2)19-12-14(15(17-19)16(3,4)5)22(20,21)18-10-8-6-7-9-11-18/h12-13H,6-11H2,1-5H3