(2S)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide Openeye Name: (2S)-N-(3-chloro-4-fluoro-phenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propanamide CAS Name: (2S)-N-(3-chloro-4-fluorophenyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]propanamide IUPAC Name: (2S)-N-(3-chloro-4-fluorophenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide Traditional Name: (2S)-N-(3-chloro-4-fluoro-phenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propionamide Formula: C19H19ClFN5O5S MolecularWeight: 483.901063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

InChI

InChI=1S/C19H19ClFN5O5S/c1-12(19(27)22-13-2-4-16(21)15(20)10-13)31-26-18-11-14(3-5-17(18)23-24-26)32(28,29)25-6-8-30-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,22,27)/t12-/m0/s1