4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide

Systemtic Name: 4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide Openeye Name: 4-[[(1R)-3-morpholino-1-(phenylsulfanylmethyl)propyl]amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide CAS Name: 4-[[(2R)-4-(4-morpholinyl)-1-(phenylthio)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide IUPAC Name: 4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)benzenesulfonamide Traditional Name: 4-[[(1R)-3-morpholino-1-[(phenylthio)methyl]propyl]amino]-3-triflyl-benzenesulfonamide Formula: C21H26F3N3O5S3 MolecularWeight: 553.63845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC(CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1COCCN1CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C21H26F3N3O5S3/c22-21(23,24)34(28,29)20-14-18(35(25,30)31)6-7-19(20)26-16(8-9-27-10-12-32-13-11-27)15-33-17-4-2-1-3-5-17/h1-7,14,16,26H,8-13,15H2,(H2,25,30,31)/t16-/m1/s1