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

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(4-methylpiperazino)sulfonylphenyl]-2-(methylthio)nicotinamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C18H22N4O3S2/c1-21-10-12-22(13-11-21)27(24,25)15-7-5-14(6-8-15)20-17(23)16-4-3-9-19-18(16)26-2/h3-9H,10-13H2,1-2H3,(H,20,23)