2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-(4-piperidinosulfonylbenzyl)nicotinamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H26N4O4S2/c1-17-14-19(26-31-17)16-32-23-21(6-5-11-24-23)22(28)25-15-18-7-9-20(10-8-18)33(29,30)27-12-3-2-4-13-27/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,25,28)