2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1S,2S)-2-oxidanylcyclohexyl]pyridine-3-carboxamide

Systemtic Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1S,2S)-2-oxidanylcyclohexyl]pyridine-3-carboxamide Openeye Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide CAS Name: 2-[(2,5-dimethoxyphenyl)thio]-N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-3-carboxamide Traditional Name: 2-[(2,5-dimethoxyphenyl)thio]-N-[(1S,2S)-2-hydroxycyclohexyl]nicotinamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)NC3CCCCC3O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)N[C@H]3CCCC[C@@H]3O

InChI

InChI=1S/C20H24N2O4S/c1-25-13-9-10-17(26-2)18(12-13)27-20-14(6-5-11-21-20)19(24)22-15-7-3-4-8-16(15)23/h5-6,9-12,15-16,23H,3-4,7-8H2,1-2H3,(H,22,24)/t15-,16-/m0/s1