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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H31N5O3S/c1-32(30,31)28-15-11-18(12-16-28)23(29)24-20-8-6-7-19(17-20)21-9-10-22(26-25-21)27-13-4-2-3-5-14-27/h6-10,17-18H,2-5,11-16H2,1H3,(H,24,29)