N-[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC(C)C(C3=CC=C(C=C3)O)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N[C@H](C)[C@H](C3=CC=C(C=C3)O)O

InChI

InChI=1S/C21H22N2O3S/c1-13-11-20(23-18-6-4-3-5-17(13)18)27-12-19(25)22-14(2)21(26)15-7-9-16(24)10-8-15/h3-11,14,21,24,26H,12H2,1-2H3,(H,22,25)/t14-,21-/m1/s1