N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-2-fluoranyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-2-fluoro-5-morpholinosulfonyl-benzamide CAS Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-fluoro-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-fluoro-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-2-fluoro-5-morpholinosulfonyl-benzamide Formula: C16H22FN3O5S MolecularWeight: 387.426383

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)F

InChI

InChI=1S/C16H22FN3O5S/c1-3-18-15(21)11(2)19-16(22)13-10-12(4-5-14(13)17)26(23,24)20-6-8-25-9-7-20/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)/t11-/m0/s1