N-[4-[2,6-bis(trifluoromethyl)pyridin-4-yl]phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-[2,6-bis(trifluoromethyl)pyridin-4-yl]phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide Openeye Name: N-[4-[2,6-bis(trifluoromethyl)-4-pyridyl]phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide CAS Name: N-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenoxy]-N-carbamimidoyl-3-methylsulfonylbenzamide IUPAC Name: N-[4-[2,6-bis(trifluoromethyl)pyridin-4-yl]phenoxy]-N-carbamimidoyl-3-methylsulfonylbenzamide Traditional Name: N-amidino-N-[4-[2,6-bis(trifluoromethyl)-4-pyridyl]phenoxy]-3-mesyl-benzamide Formula: C22H16F6N4O4S MolecularWeight: 546.442259

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)C3=CC(=NC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)C3=CC(=NC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H16F6N4O4S/c1-37(34,35)16-4-2-3-13(9-16)19(33)32(20(29)30)36-15-7-5-12(6-8-15)14-10-17(21(23,24)25)31-18(11-14)22(26,27)28/h2-11H,1H3,(H3,29,30)