N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)F)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)F)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O4S/c1-29-19-7-4-15(12-17(19)24(26)27)20(25)22-13-18(23-8-10-28-11-9-23)14-2-5-16(21)6-3-14/h2-7,12,18H,8-11,13H2,1H3,(H,22,25)/t18-/m0/s1