N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3,5-bis(trifluoromethyl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3,5-bis(trifluoromethyl)benzamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-3,5-bis(trifluoromethyl)benzamide Formula: C25H27F6N3O4S MolecularWeight: 579.554999

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H27F6N3O4S/c26-24(27,28)18-13-17(14-19(15-18)25(29,30)31)23(35)32-21-16-20(39(36,37)34-9-11-38-12-10-34)5-6-22(21)33-7-3-1-2-4-8-33/h5-6,13-16H,1-4,7-12H2,(H,32,35)