[4-methyl-5-oxidanylidene-1-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-6-yl]carbamic acid

Systemtic Name: [4-methyl-5-oxidanylidene-1-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-6-yl]carbamic acid Openeye Name: [4-methyl-5-oxo-1-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-6-yl]carbamic acid CAS Name: [4-methyl-5-oxo-1-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-6-yl]carbamic acid IUPAC Name: [4-methyl-5-oxo-1-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-6-yl]carbamic acid Traditional Name: [5-keto-4-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-6-yl]carbamic acid Formula: C14H16F3N3O5S MolecularWeight: 395.35415

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1=O)NC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CN1CCN(CC(C1=O)NC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H16F3N3O5S/c1-19-6-7-20(8-11(12(19)21)18-13(22)23)26(24,25)10-4-2-9(3-5-10)14(15,16)17/h2-5,11,18H,6-8H2,1H3,(H,22,23)