(2S,4R)-2-azanyl-4-(3-fluorophenyl)-4-(4-methoxy-2-nitro-phenyl)sulfanyl-butan-1-ol

Systemtic Name: (2S,4R)-2-azanyl-4-(3-fluorophenyl)-4-(4-methoxy-2-nitro-phenyl)sulfanyl-butan-1-ol Openeye Name: (2S,4R)-2-amino-4-(3-fluorophenyl)-4-(4-methoxy-2-nitro-phenyl)sulfanyl-butan-1-ol CAS Name: (2S,4R)-2-amino-4-(3-fluorophenyl)-4-[(4-methoxy-2-nitrophenyl)thio]-1-butanol IUPAC Name: (2S,4R)-2-amino-4-(3-fluorophenyl)-4-(4-methoxy-2-nitrophenyl)sulfanylbutan-1-ol Traditional Name: (2S,4R)-2-amino-4-(3-fluorophenyl)-4-[(4-methoxy-2-nitro-phenyl)thio]butan-1-ol Formula: C17H19FN2O4S MolecularWeight: 366.407163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC(CC(CO)N)C2=CC(=CC=C2)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S[C@H](C[C@@H](CO)N)C2=CC(=CC=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H19FN2O4S/c1-24-14-5-6-16(15(9-14)20(22)23)25-17(8-13(19)10-21)11-3-2-4-12(18)7-11/h2-7,9,13,17,21H,8,10,19H2,1H3/t13-,17+/m0/s1