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

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-[4-(4-methylpiperazino)sulfonylphenyl]nicotinamide Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H25N5O4S2/c1-16-14-18(25-31-16)15-32-22-20(4-3-9-23-22)21(28)24-17-5-7-19(8-6-17)33(29,30)27-12-10-26(2)11-13-27/h3-9,14H,10-13,15H2,1-2H3,(H,24,28)