tert-butyl N-[(2S)-1-[[2-methoxy-5-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]phenyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[2-methoxy-5-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]phenyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]anilino]-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]anilino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]anilino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-2-[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]anilino]-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C21H22F5N3O6S MolecularWeight: 539.472896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H22F5N3O6S/c1-9(27-20(31)35-21(2,3)4)19(30)28-11-8-10(6-7-12(11)34-5)29-36(32,33)18-16(25)14(23)13(22)15(24)17(18)26/h6-9,29H,1-5H3,(H,27,31)(H,28,30)/t9-/m0/s1