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

Systemtic Name: (2S)-N-(3-fluoranyl-4-methyl-phenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxy-propanamide Openeye Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propanamide CAS Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-[[6-(4-morpholinylsulfonyl)-1-benzotriazolyl]oxy]propanamide IUPAC Name: (2S)-N-(3-fluoro-4-methylphenyl)-2-(6-morpholin-4-ylsulfonylbenzotriazol-1-yl)oxypropanamide Traditional Name: (2S)-N-(3-fluoro-4-methyl-phenyl)-2-(6-morpholinosulfonylbenzotriazol-1-yl)oxy-propionamide Formula: C20H22FN5O5S MolecularWeight: 463.482583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)ON2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N=N2)F

InChI

InChI=1S/C20H22FN5O5S/c1-13-3-4-15(11-17(13)21)22-20(27)14(2)31-26-19-12-16(5-6-18(19)23-24-26)32(28,29)25-7-9-30-10-8-25/h3-6,11-12,14H,7-10H2,1-2H3,(H,22,27)/t14-/m0/s1