N'-(azepan-1-ylsulfonyl)-N-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamimidate

Systemtic Name: N'-(azepan-1-ylsulfonyl)-N-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamimidate Openeye Name: N'-(azepan-1-ylsulfonyl)-N-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamimidate CAS Name: N'-(1-azepanylsulfonyl)-N-[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]carbamimidate IUPAC Name: N'-(azepan-1-ylsulfonyl)-N-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamimidate Traditional Name: N'-(azepan-1-ylsulfonyl)-N-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]carbamimidate Formula: C16H23F3N5O3S- MolecularWeight: 422.44573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)NC(=NS(=O)(=O)N2CCCCCC2)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)NC(=NS(=O)(=O)N2CCCCCC2)[O-])C(F)(F)F

InChI

InChI=1S/C16H24F3N5O3S/c1-15(2,3)11-10-12(16(17,18)19)21-13(20-11)22-14(25)23-28(26,27)24-8-6-4-5-7-9-24/h10H,4-9H2,1-3H3,(H2,20,21,22,23,25)/p-1