N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[6-(4-methyl-1-piperidinyl)-3-pyridazinyl]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[4-[6-(4-methylpiperidino)pyridazin-3-yl]phenyl]isonipecotamide Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H31N5O3S/c1-17-9-13-27(14-10-17)22-8-7-21(25-26-22)18-3-5-20(6-4-18)24-23(29)19-11-15-28(16-12-19)32(2,30)31/h3-8,17,19H,9-16H2,1-2H3,(H,24,29)