(2S)-N-(2-fluorophenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide

Systemtic Name: (2S)-N-(2-fluorophenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide Openeye Name: (2S)-N-(2-fluorophenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propanamide CAS Name: (2S)-N-(2-fluorophenyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]propanamide IUPAC Name: (2S)-N-(2-fluorophenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide Traditional Name: (2S)-N-(2-fluorophenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propionamide Formula: C19H20FN5O5S MolecularWeight: 449.456003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1F)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2

InChI

InChI=1S/C19H20FN5O5S/c1-13(19(26)21-16-5-3-2-4-15(16)20)30-25-18-12-14(6-7-17(18)22-23-25)31(27,28)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,21,26)/t13-/m0/s1