2-(4-chlorophenyl)sulfanyl-N-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]pyridine-3-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]pyridine-3-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]nicotinamide Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@H](CNC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C22H21ClN2O4S/c1-28-17-6-8-18(9-7-17)29-14-16(26)13-25-21(27)20-3-2-12-24-22(20)30-19-10-4-15(23)5-11-19/h2-12,16,26H,13-14H2,1H3,(H,25,27)/t16-/m0/s1